2,4-dimethyl-2,5-dihydropyridin-5-amine

C7H12N2 — CID 90780022

IUPAC2,4-dimethyl-2,5-dihydropyridin-5-amine
SMILESCC1=CC(C)N=CC1N
InChIInChI=1S/C7H12N2/c1-5-3-6(2)9-4-7(5)8/h3-4,6-7H,8H2,1-2H3
InChIKeyFGQPILRYOUSOFO-UHFFFAOYSA-N
MW124.19 g/mol
LogP0.73
Rot. Bonds

About 2,4-dimethyl-2,5-dihydropyridin-5-amine

2,4-dimethyl-2,5-dihydropyridin-5-amine (PubChem CID 90780022) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is 2,4-dimethyl-2,5-dihydropyridin-5-amine.

Molecular Properties

Compound Name2,4-dimethyl-2,5-dihydropyridin-5-amine
PubChem CID90780022
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Name2,4-dimethyl-2,5-dihydropyridin-5-amine
SMILESCC1=CC(C)N=CC1N
InChIInChI=1S/C7H12N2/c1-5-3-6(2)9-4-7(5)8/h3-4,6-7H,8H2,1-2H3
InChIKeyFGQPILRYOUSOFO-UHFFFAOYSA-N
XLogP0.73
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2,4-dimethyl-2,5-dihydropyridin-5-amine 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

1-(2H-pyrrol-3-yl)ethanamine
CID 18519004
3H-pyridin-1-ium-5-ylmethanamine
CID 57056736
(2-methyl-2H-pyrrol-4-yl)methanamine
CID 68322392
(1R)-1-(2H-pyrrol-3-yl)ethanamine
CID 68876820
(1S)-1-(2H-pyrrol-3-yl)ethanamine
CID 68876822
[(2S)-2-methyl-2H-pyrrol-4-yl]methanamine
CID 89038970
2-Methyl-2,3-dihydropyridin-3-amine
CID 89039076
5-Methyl-2,3-dihydropyridin-2-amine
CID 89227049
(3-Methyl-2,3-dihydropyridin-5-yl)methanamine
CID 89272014
(2-Methyl-2,3-dihydropyridin-5-yl)methanamine
CID 123156470
1-(2,3-Dihydropyridin-5-yl)propan-1-amine
CID 123588084
5-(aminomethyl)-6-methyl-3H-pyridin-6-amine
CID 123737883

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-2,5-dihydropyridin-5-amine?
The IUPAC name of 2,4-dimethyl-2,5-dihydropyridin-5-amine (CID 90780022) is 2,4-dimethyl-2,5-dihydropyridin-5-amine.
What is the SMILES notation for 2,4-dimethyl-2,5-dihydropyridin-5-amine?
The canonical SMILES for 2,4-dimethyl-2,5-dihydropyridin-5-amine is CC1=CC(C)N=CC1N.
What is the InChIKey of 2,4-dimethyl-2,5-dihydropyridin-5-amine?
The InChIKey is FGQPILRYOUSOFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2/c1-5-3-6(2)9-4-7(5)8/h3-4,6-7H,8H2,1-2H3.
What are the key properties of 2,4-dimethyl-2,5-dihydropyridin-5-amine?
2,4-dimethyl-2,5-dihydropyridin-5-amine has a molecular weight of 124.19 g/mol, XLogP of 0.73, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-2,5-dihydropyridin-5-amine is sourced from PubChem (CID 90780022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).