3,4-Dihydrometanicotine
TL;DR: 3,4-Dihydrometanicotine (CAS 3000-74-6) is a chemical compound with molecular formula C10H16N2 and molecular weight 164.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-methyl-1-pyridin-3-ylbutan-1-amine
Also Known As: Dihydrometanicotine, 3,4-Dihydrometanicotine, 3-(1-Methylaminobutyl)pyridine, NIOSH/UT5497000, 3-Pyridinebutanamine, N-methyl-
| Molecular Formula | C10H16N2 |
|---|---|
| Molecular Weight | 164.13 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 24.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 164.13135 |
| Heavy Atoms | 12 |
| Complexity | 114.0 |
Chemical Identifiers
| CAS Number | 3000-74-6 |
|---|---|
| SMILES | CCCC(C1=CN=CC=C1)NC |
| InChIKey | NFZVCHHDNNTURD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,4-Dihydrometanicotine (CAS 3000-74-6), with molecular formula C10H16N2 and molecular weight 164.13 g/mol. IUPAC: N-methyl-1-pyridin-3-ylbutan-1-amine.
Chemical Property Profile of 3,4-Dihydrometanicotine
Property Insights of 3,4-Dihydrometanicotine
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4-Dihydrometanicotine. With a topological polar surface area (TPSA) of 24.9 Ų, 3,4-Dihydrometanicotine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4-Dihydrometanicotine has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3,4-Dihydrometanicotine?
The CAS number of 3,4-Dihydrometanicotine is 3000-74-6.
What is the molecular formula of 3,4-Dihydrometanicotine?
The molecular formula of 3,4-Dihydrometanicotine is C10H16N2.
What is the molecular weight of 3,4-Dihydrometanicotine?
The molecular weight of 3,4-Dihydrometanicotine is 164.13 g/mol.
Where can I buy 3,4-Dihydrometanicotine?
You can request a quote for 3,4-Dihydrometanicotine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-Dihydrometanicotine?
Yes, KEHONG BIO provides custom synthesis services for 3,4-Dihydrometanicotine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.