(6-methyl-2,3,4,5-tetrahydropyridin-3-yl)methanamine

C7H14N2 — CID 70254702

IUPAC(6-methyl-2,3,4,5-tetrahydropyridin-3-yl)methanamine
SMILESCC1=NCC(CN)CC1
InChIInChI=1S/C7H14N2/c1-6-2-3-7(4-8)5-9-6/h7H,2-5,8H2,1H3
InChIKeyKPUDSHONOVKLBQ-UHFFFAOYSA-N
MW126.20 g/mol
LogP0.82
Rot. Bonds1

About (6-methyl-2,3,4,5-tetrahydropyridin-3-yl)methanamine

(6-methyl-2,3,4,5-tetrahydropyridin-3-yl)methanamine (PubChem CID 70254702) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is (6-methyl-2,3,4,5-tetrahydropyridin-3-yl)methanamine.

Molecular Properties

Compound Name(6-methyl-2,3,4,5-tetrahydropyridin-3-yl)methanamine
PubChem CID70254702
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC Name(6-methyl-2,3,4,5-tetrahydropyridin-3-yl)methanamine
SMILESCC1=NCC(CN)CC1
InChIInChI=1S/C7H14N2/c1-6-2-3-7(4-8)5-9-6/h7H,2-5,8H2,1H3
InChIKeyKPUDSHONOVKLBQ-UHFFFAOYSA-N
XLogP0.82
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (6-methyl-2,3,4,5-tetrahydropyridin-3-yl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (6-methyl-2,3,4,5-tetrahydropyridin-3-yl)methanamine?
The IUPAC name of (6-methyl-2,3,4,5-tetrahydropyridin-3-yl)methanamine (CID 70254702) is (6-methyl-2,3,4,5-tetrahydropyridin-3-yl)methanamine.
What is the SMILES notation for (6-methyl-2,3,4,5-tetrahydropyridin-3-yl)methanamine?
The canonical SMILES for (6-methyl-2,3,4,5-tetrahydropyridin-3-yl)methanamine is CC1=NCC(CN)CC1.
What is the InChIKey of (6-methyl-2,3,4,5-tetrahydropyridin-3-yl)methanamine?
The InChIKey is KPUDSHONOVKLBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2/c1-6-2-3-7(4-8)5-9-6/h7H,2-5,8H2,1H3.
What are the key properties of (6-methyl-2,3,4,5-tetrahydropyridin-3-yl)methanamine?
(6-methyl-2,3,4,5-tetrahydropyridin-3-yl)methanamine has a molecular weight of 126.20 g/mol, XLogP of 0.82, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methyl-2,3,4,5-tetrahydropyridin-3-yl)methanamine is sourced from PubChem (CID 70254702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).