1,2,3,6-tetrahydropyridin-2-ylmethanamine

C6H12N2 — CID 6389350

IUPAC1,2,3,6-tetrahydropyridin-2-ylmethanamine
SMILESNCC1CC=CCN1
InChIInChI=1S/C6H12N2/c7-5-6-3-1-2-4-8-6/h1-2,6,8H,3-5,7H2
InChIKeyJJZWGYXIEUVEEA-UHFFFAOYSA-N
MW112.18 g/mol
LogP-0.14
Rot. Bonds1

About 1,2,3,6-tetrahydropyridin-2-ylmethanamine

1,2,3,6-tetrahydropyridin-2-ylmethanamine (PubChem CID 6389350) has the molecular formula C6H12N2 and a molecular weight of 112.18 g/mol. Its IUPAC name is 1,2,3,6-tetrahydropyridin-2-ylmethanamine.

Molecular Properties

Compound Name1,2,3,6-tetrahydropyridin-2-ylmethanamine
PubChem CID6389350
Molecular FormulaC6H12N2
Molecular Weight112.18 g/mol
Exact Mass112.10
IUPAC Name1,2,3,6-tetrahydropyridin-2-ylmethanamine
SMILESNCC1CC=CCN1
InChIInChI=1S/C6H12N2/c7-5-6-3-1-2-4-8-6/h1-2,6,8H,3-5,7H2
InChIKeyJJZWGYXIEUVEEA-UHFFFAOYSA-N
XLogP-0.14
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.18
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1,2,3,6-tetrahydropyridin-2-ylmethanamine with MolForge

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

Launch Full Analysis

Related Compounds

2-Allyl-3-pyrroline
CID 14958845
Pyridine, 1,2,5,6-tetrahydro-2-methyl-
CID 5231252
2-Allyl-1,2,3,6-tetrahydropyridine
CID 12967355
2-Methyl-1,2,3,6-tetrahydro-pyridine
CID 20216100
3,9-Diazabicyclo[3,3,1]non-6-ene
CID 67239375
8-Aza-bicyclo[3.2.1]octa-3,6-diene
CID 68985712
(2S)-2-(fluoromethyl)-1,2,3,6-tetrahydropyridine
CID 174453260
(2R,3R)-2,3-bis[(1E)-penta-1,4-dienyl]piperazine
CID 134925876
(2R,3R)-2,3-bis[(E)-pent-1-enyl]piperazine
CID 134994082
(2R,3R)-2,3-bis[(E)-prop-1-enyl]piperazine
CID 134994271
2-(1,2,3,6-Tetrahydropyridin-2-yl)ethanamine
CID 5232321
2,6-Dimethyl-1,2,3,6-tetrahydropyridine
CID 5251736

Frequently Asked Questions

What is the IUPAC name of 1,2,3,6-tetrahydropyridin-2-ylmethanamine?
The IUPAC name of 1,2,3,6-tetrahydropyridin-2-ylmethanamine (CID 6389350) is 1,2,3,6-tetrahydropyridin-2-ylmethanamine.
What is the SMILES notation for 1,2,3,6-tetrahydropyridin-2-ylmethanamine?
The canonical SMILES for 1,2,3,6-tetrahydropyridin-2-ylmethanamine is NCC1CC=CCN1.
What is the InChIKey of 1,2,3,6-tetrahydropyridin-2-ylmethanamine?
The InChIKey is JJZWGYXIEUVEEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2/c7-5-6-3-1-2-4-8-6/h1-2,6,8H,3-5,7H2.
What are the key properties of 1,2,3,6-tetrahydropyridin-2-ylmethanamine?
1,2,3,6-tetrahydropyridin-2-ylmethanamine has a molecular weight of 112.18 g/mol, XLogP of -0.14, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,6-tetrahydropyridin-2-ylmethanamine is sourced from PubChem (CID 6389350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).