(1S)-3,3-dimethyl-1-(6-methyl-2-pyridinyl)butan-1-amine

C12H20N2 — CID 99737673

IUPAC(1S)-3,3-dimethyl-1-(6-methyl-2-pyridinyl)butan-1-amine
SMILESCc1cccc([C@@H](N)CC(C)(C)C)n1
InChIInChI=1S/C12H20N2/c1-9-6-5-7-11(14-9)10(13)8-12(2,3)4/h5-7,10H,8,13H2,1-4H3/t10-/m0/s1
InChIKeyYMXFCRWJAKPYNE-JTQLQIEISA-N
MW192.31 g/mol
LogP2.83
Rot. Bonds2

About (1S)-3,3-dimethyl-1-(6-methyl-2-pyridinyl)butan-1-amine

(1S)-3,3-dimethyl-1-(6-methyl-2-pyridinyl)butan-1-amine (PubChem CID 99737673) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is (1S)-3,3-dimethyl-1-(6-methyl-2-pyridinyl)butan-1-amine.

Molecular Properties

Compound Name(1S)-3,3-dimethyl-1-(6-methyl-2-pyridinyl)butan-1-amine
PubChem CID99737673
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name(1S)-3,3-dimethyl-1-(6-methyl-2-pyridinyl)butan-1-amine
SMILESCc1cccc([C@@H](N)CC(C)(C)C)n1
InChIInChI=1S/C12H20N2/c1-9-6-5-7-11(14-9)10(13)8-12(2,3)4/h5-7,10H,8,13H2,1-4H3/t10-/m0/s1
InChIKeyYMXFCRWJAKPYNE-JTQLQIEISA-N
XLogP2.83
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1S)-3,3-dimethyl-1-(6-methyl-2-pyridinyl)butan-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)-3-methyl-1-(6-methyl-2-pyridinyl)butan-1-amine
CID 96644382
(1S)-3,3-dimethyl-1-pyridin-2-ylbutan-1-amine
CID 99737676
1-(6-methyl-2-pyridinyl)butan-1-amine
CID 63554352
(1S)-1-(6-methyl-2-pyridinyl)pentan-1-amine
CID 96644379
(1S)-1-(6-methyl-2-pyridinyl)but-3-en-1-amine
CID 55293021
(1S)-1-(6-methyl-2-pyridinyl)pentane-1,5-diamine
CID 171230275
(1R)-1-(6-methyl-2-pyridinyl)pentan-1-amine;hydrochloride
CID 171210683
(1R)-3-methyl-1-(6-methyl-2-pyridinyl)but-3-en-1-amine
CID 130817388
(4R)-4-amino-4-(6-methyl-2-pyridinyl)butan-1-ol
CID 55265043
5,5,5-trifluoro-1-(6-methyl-2-pyridinyl)pentan-1-amine
CID 115516744
(1R)-1-(6-methyl-2-pyridinyl)pentane-1,5-diamine;hydrochloride
CID 171210678
(1S)-1-(6-methyl-2-pyridinyl)hexan-1-amine;hydrochloride
CID 171230282

Frequently Asked Questions

What is the IUPAC name of (1S)-3,3-dimethyl-1-(6-methyl-2-pyridinyl)butan-1-amine?
The IUPAC name of (1S)-3,3-dimethyl-1-(6-methyl-2-pyridinyl)butan-1-amine (CID 99737673) is (1S)-3,3-dimethyl-1-(6-methyl-2-pyridinyl)butan-1-amine.
What is the SMILES notation for (1S)-3,3-dimethyl-1-(6-methyl-2-pyridinyl)butan-1-amine?
The canonical SMILES for (1S)-3,3-dimethyl-1-(6-methyl-2-pyridinyl)butan-1-amine is Cc1cccc([C@@H](N)CC(C)(C)C)n1.
What is the InChIKey of (1S)-3,3-dimethyl-1-(6-methyl-2-pyridinyl)butan-1-amine?
The InChIKey is YMXFCRWJAKPYNE-JTQLQIEISA-N. The full InChI is InChI=1S/C12H20N2/c1-9-6-5-7-11(14-9)10(13)8-12(2,3)4/h5-7,10H,8,13H2,1-4H3/t10-/m0/s1.
What are the key properties of (1S)-3,3-dimethyl-1-(6-methyl-2-pyridinyl)butan-1-amine?
(1S)-3,3-dimethyl-1-(6-methyl-2-pyridinyl)butan-1-amine has a molecular weight of 192.31 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-3,3-dimethyl-1-(6-methyl-2-pyridinyl)butan-1-amine is sourced from PubChem (CID 99737673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).