2-(aminomethyl)-1-(6-methyl-3-pyridinyl)pentan-1-one

C12H18N2O — CID 116574417

IUPAC2-(aminomethyl)-1-(6-methyl-3-pyridinyl)pentan-1-one
SMILESCCCC(CN)C(=O)c1ccc(C)nc1
InChIInChI=1S/C12H18N2O/c1-3-4-10(7-13)12(15)11-6-5-9(2)14-8-11/h5-6,8,10H,3-4,7,13H2,1-2H3
InChIKeyOLQFQMPMCGBTLU-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.95
Rot. Bonds5

About 2-(aminomethyl)-1-(6-methyl-3-pyridinyl)pentan-1-one

2-(aminomethyl)-1-(6-methyl-3-pyridinyl)pentan-1-one (PubChem CID 116574417) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 2-(aminomethyl)-1-(6-methyl-3-pyridinyl)pentan-1-one.

Molecular Properties

Compound Name2-(aminomethyl)-1-(6-methyl-3-pyridinyl)pentan-1-one
PubChem CID116574417
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name2-(aminomethyl)-1-(6-methyl-3-pyridinyl)pentan-1-one
SMILESCCCC(CN)C(=O)c1ccc(C)nc1
InChIInChI=1S/C12H18N2O/c1-3-4-10(7-13)12(15)11-6-5-9(2)14-8-11/h5-6,8,10H,3-4,7,13H2,1-2H3
InChIKeyOLQFQMPMCGBTLU-UHFFFAOYSA-N
XLogP1.95
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(aminomethyl)-1-(6-methyl-3-pyridinyl)pentan-1-one 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-(aminomethyl)-1-(6-methyl-3-pyridinyl)butan-1-one
CID 116575014
2-(aminomethyl)-4-methyl-1-(6-methyl-3-pyridinyl)pentan-1-one
CID 116597825
2-(aminomethyl)-N-[(6-methyl-3-pyridinyl)methyl]pentanamide
CID 62997308
2-(aminomethyl)-1-(4-methoxyphenyl)pentan-1-one
CID 116574552
2-(aminomethyl)-1-(3,4-dimethoxyphenyl)pentan-1-one
CID 116574532
2,2-difluoro-1-(6-methyl-3-pyridinyl)ethanone
CID 112574268
2-(aminomethyl)-1-(3,5-difluorophenyl)pentan-1-one
CID 116574642
2-hydroxy-3-methyl-1-(6-methyl-3-pyridinyl)butan-1-one
CID 103455104
2-(aminomethyl)-1-(3-ethylphenyl)pentan-1-one
CID 116574550
2-(aminomethyl)-1-(2,3-dimethylphenyl)pentan-1-one
CID 116574492
methyl 2-(aminomethyl)-3-(6-methyl-3-pyridinyl)propanoate
CID 104822729
N-(2-ethylbutyl)-6-methylpyridine-3-carboxamide
CID 115612931

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-1-(6-methyl-3-pyridinyl)pentan-1-one?
The IUPAC name of 2-(aminomethyl)-1-(6-methyl-3-pyridinyl)pentan-1-one (CID 116574417) is 2-(aminomethyl)-1-(6-methyl-3-pyridinyl)pentan-1-one.
What is the SMILES notation for 2-(aminomethyl)-1-(6-methyl-3-pyridinyl)pentan-1-one?
The canonical SMILES for 2-(aminomethyl)-1-(6-methyl-3-pyridinyl)pentan-1-one is CCCC(CN)C(=O)c1ccc(C)nc1.
What is the InChIKey of 2-(aminomethyl)-1-(6-methyl-3-pyridinyl)pentan-1-one?
The InChIKey is OLQFQMPMCGBTLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-3-4-10(7-13)12(15)11-6-5-9(2)14-8-11/h5-6,8,10H,3-4,7,13H2,1-2H3.
What are the key properties of 2-(aminomethyl)-1-(6-methyl-3-pyridinyl)pentan-1-one?
2-(aminomethyl)-1-(6-methyl-3-pyridinyl)pentan-1-one has a molecular weight of 206.29 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-1-(6-methyl-3-pyridinyl)pentan-1-one is sourced from PubChem (CID 116574417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).