(1S)-1-(6-methyl-2-pyridinyl)pentan-1-amine

C11H18N2 — CID 96644379

IUPAC(1S)-1-(6-methyl-2-pyridinyl)pentan-1-amine
SMILESCCCC[C@H](N)c1cccc(C)n1
InChIInChI=1S/C11H18N2/c1-3-4-7-10(12)11-8-5-6-9(2)13-11/h5-6,8,10H,3-4,7,12H2,1-2H3/t10-/m0/s1
InChIKeyILLLXPYLOQKQTH-JTQLQIEISA-N
MW178.28 g/mol
LogP2.58
Rot. Bonds4

About (1S)-1-(6-methyl-2-pyridinyl)pentan-1-amine

(1S)-1-(6-methyl-2-pyridinyl)pentan-1-amine (PubChem CID 96644379) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is (1S)-1-(6-methyl-2-pyridinyl)pentan-1-amine.

Molecular Properties

Compound Name(1S)-1-(6-methyl-2-pyridinyl)pentan-1-amine
PubChem CID96644379
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name(1S)-1-(6-methyl-2-pyridinyl)pentan-1-amine
SMILESCCCC[C@H](N)c1cccc(C)n1
InChIInChI=1S/C11H18N2/c1-3-4-7-10(12)11-8-5-6-9(2)13-11/h5-6,8,10H,3-4,7,12H2,1-2H3/t10-/m0/s1
InChIKeyILLLXPYLOQKQTH-JTQLQIEISA-N
XLogP2.58
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1S)-1-(6-methyl-2-pyridinyl)pentan-1-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

(1R)-1-(6-methyl-2-pyridinyl)pentan-1-amine;hydrochloride
CID 171210683
(1S)-1-(6-methyl-2-pyridinyl)hexan-1-amine;hydrochloride
CID 171230282
1-(6-methyl-2-pyridinyl)butan-1-amine
CID 63554352
(1S)-1-(6-methyl-2-pyridinyl)pentane-1,5-diamine
CID 171230275
(4R)-4-amino-4-(6-methyl-2-pyridinyl)butan-1-ol
CID 55265043
(1R)-1-(6-methyl-2-pyridinyl)pentane-1,5-diamine;hydrochloride
CID 171210678
5,5,5-trifluoro-1-(6-methyl-2-pyridinyl)pentan-1-amine
CID 115516744
6-(1-aminopentyl)pyridine-2-carboxylic acid
CID 171922233
(1R)-3-methyl-1-(6-methyl-2-pyridinyl)butan-1-amine
CID 96644382
(1S)-3,3-dimethyl-1-(6-methyl-2-pyridinyl)butan-1-amine
CID 99737673
1-(5-fluoro-6-methyl-2-pyridinyl)pentan-1-amine
CID 55268522
(1S)-1-(6-methyl-2-pyridinyl)but-3-en-1-amine
CID 55293021

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(6-methyl-2-pyridinyl)pentan-1-amine?
The IUPAC name of (1S)-1-(6-methyl-2-pyridinyl)pentan-1-amine (CID 96644379) is (1S)-1-(6-methyl-2-pyridinyl)pentan-1-amine.
What is the SMILES notation for (1S)-1-(6-methyl-2-pyridinyl)pentan-1-amine?
The canonical SMILES for (1S)-1-(6-methyl-2-pyridinyl)pentan-1-amine is CCCC[C@H](N)c1cccc(C)n1.
What is the InChIKey of (1S)-1-(6-methyl-2-pyridinyl)pentan-1-amine?
The InChIKey is ILLLXPYLOQKQTH-JTQLQIEISA-N. The full InChI is InChI=1S/C11H18N2/c1-3-4-7-10(12)11-8-5-6-9(2)13-11/h5-6,8,10H,3-4,7,12H2,1-2H3/t10-/m0/s1.
What are the key properties of (1S)-1-(6-methyl-2-pyridinyl)pentan-1-amine?
(1S)-1-(6-methyl-2-pyridinyl)pentan-1-amine has a molecular weight of 178.28 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(6-methyl-2-pyridinyl)pentan-1-amine is sourced from PubChem (CID 96644379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).