1-methyl-3,6-dihydro-2H-pyridin-2-amine

C6H12N2 — CID 147041631

IUPAC1-methyl-3,6-dihydro-2H-pyridin-2-amine
SMILESCN1CC=CCC1N
InChIInChI=1S/C6H12N2/c1-8-5-3-2-4-6(8)7/h2-3,6H,4-5,7H2,1H3
InChIKeyAZODZEAXNLCZNF-UHFFFAOYSA-N
MW112.18 g/mol
LogP0.16
Rot. Bonds

About 1-methyl-3,6-dihydro-2H-pyridin-2-amine

1-methyl-3,6-dihydro-2H-pyridin-2-amine (PubChem CID 147041631) has the molecular formula C6H12N2 and a molecular weight of 112.18 g/mol. Its IUPAC name is 1-methyl-3,6-dihydro-2H-pyridin-2-amine.

Molecular Properties

Compound Name1-methyl-3,6-dihydro-2H-pyridin-2-amine
PubChem CID147041631
Molecular FormulaC6H12N2
Molecular Weight112.18 g/mol
Exact Mass112.10
IUPAC Name1-methyl-3,6-dihydro-2H-pyridin-2-amine
SMILESCN1CC=CCC1N
InChIInChI=1S/C6H12N2/c1-8-5-3-2-4-6(8)7/h2-3,6H,4-5,7H2,1H3
InChIKeyAZODZEAXNLCZNF-UHFFFAOYSA-N
XLogP0.16
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.18
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-methyl-3,6-dihydro-2H-pyridin-2-amine 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 1-methyl-3,6-dihydro-2H-pyridin-2-amine?
The IUPAC name of 1-methyl-3,6-dihydro-2H-pyridin-2-amine (CID 147041631) is 1-methyl-3,6-dihydro-2H-pyridin-2-amine.
What is the SMILES notation for 1-methyl-3,6-dihydro-2H-pyridin-2-amine?
The canonical SMILES for 1-methyl-3,6-dihydro-2H-pyridin-2-amine is CN1CC=CCC1N.
What is the InChIKey of 1-methyl-3,6-dihydro-2H-pyridin-2-amine?
The InChIKey is AZODZEAXNLCZNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2/c1-8-5-3-2-4-6(8)7/h2-3,6H,4-5,7H2,1H3.
What are the key properties of 1-methyl-3,6-dihydro-2H-pyridin-2-amine?
1-methyl-3,6-dihydro-2H-pyridin-2-amine has a molecular weight of 112.18 g/mol, XLogP of 0.16, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3,6-dihydro-2H-pyridin-2-amine is sourced from PubChem (CID 147041631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).