(2S)-1-cyclohexyl-N,3-dimethylbutan-2-amine

C12H25N — CID 167019095

IUPAC(2S)-1-cyclohexyl-N,3-dimethylbutan-2-amine
SMILESCN[C@@H](CC1CCCCC1)C(C)C
InChIInChI=1S/C12H25N/c1-10(2)12(13-3)9-11-7-5-4-6-8-11/h10-13H,4-9H2,1-3H3/t12-/m0/s1
InChIKeyULHXIKBCVSFZNS-LBPRGKRZSA-N
MW183.34 g/mol
LogP3.20
Rot. Bonds4

About (2S)-1-cyclohexyl-N,3-dimethylbutan-2-amine

(2S)-1-cyclohexyl-N,3-dimethylbutan-2-amine (PubChem CID 167019095) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is (2S)-1-cyclohexyl-N,3-dimethylbutan-2-amine.

Molecular Properties

Compound Name(2S)-1-cyclohexyl-N,3-dimethylbutan-2-amine
PubChem CID167019095
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC Name(2S)-1-cyclohexyl-N,3-dimethylbutan-2-amine
SMILESCN[C@@H](CC1CCCCC1)C(C)C
InChIInChI=1S/C12H25N/c1-10(2)12(13-3)9-11-7-5-4-6-8-11/h10-13H,4-9H2,1-3H3/t12-/m0/s1
InChIKeyULHXIKBCVSFZNS-LBPRGKRZSA-N
XLogP3.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.34
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (2S)-1-cyclohexyl-N,3-dimethylbutan-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

Related Compounds

1-cyclopropyl-N,3-dimethylbutan-2-amine
CID 64903822
3-cyclohexyl-1,1-difluoro-N-methylpropan-2-amine
CID 80604795
1-cycloheptyl-N,3-dimethylhexan-2-amine
CID 107893929
4-cyclohexyl-2-hydroxy-3-(methylamino)butanoic acid
CID 70425259
2-cyclohexyl-1-cyclopropyl-N-methylethanamine
CID 62600401
1-cycloheptyl-N-methyl-3-pyridin-4-ylbutan-2-amine
CID 114458229
(5S)-N-(1-cyclohexyl-3-methylbutan-2-yl)-2,4,7-trimethyl-5-(methylamino)octanamide
CID 142241058
3-(cyclopentylmethyl)-N,4-dimethylpentan-2-amine
CID 62915823
(1-cyclopentyl-3,4-dimethylpentan-2-yl)hydrazine
CID 105299129
(3-methyl-2-propan-2-ylbutyl)cycloheptane
CID 123585668
2,3-dimethylbutylcyclodecane
CID 123220792
2-cyclohexyl-1-N'-methylethane-1,1-diamine
CID 139541919

Frequently Asked Questions

What is the IUPAC name of (2S)-1-cyclohexyl-N,3-dimethylbutan-2-amine?
The IUPAC name of (2S)-1-cyclohexyl-N,3-dimethylbutan-2-amine (CID 167019095) is (2S)-1-cyclohexyl-N,3-dimethylbutan-2-amine.
What is the SMILES notation for (2S)-1-cyclohexyl-N,3-dimethylbutan-2-amine?
The canonical SMILES for (2S)-1-cyclohexyl-N,3-dimethylbutan-2-amine is CN[C@@H](CC1CCCCC1)C(C)C.
What is the InChIKey of (2S)-1-cyclohexyl-N,3-dimethylbutan-2-amine?
The InChIKey is ULHXIKBCVSFZNS-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H25N/c1-10(2)12(13-3)9-11-7-5-4-6-8-11/h10-13H,4-9H2,1-3H3/t12-/m0/s1.
What are the key properties of (2S)-1-cyclohexyl-N,3-dimethylbutan-2-amine?
(2S)-1-cyclohexyl-N,3-dimethylbutan-2-amine has a molecular weight of 183.34 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-cyclohexyl-N,3-dimethylbutan-2-amine is sourced from PubChem (CID 167019095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).