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

C12H25N — CID 130039908

IUPAC(1S)-1-cyclohexyl-3,3-dimethylbutan-1-amine
SMILESCC(C)(C)C[C@H](N)C1CCCCC1
InChIInChI=1S/C12H25N/c1-12(2,3)9-11(13)10-7-5-4-6-8-10/h10-11H,4-9,13H2,1-3H3/t11-/m0/s1
InChIKeyCXKMLWQWPOBTET-NSHDSACASA-N
MW183.34 g/mol
LogP3.33
Rot. Bonds2

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

(1S)-1-cyclohexyl-3,3-dimethylbutan-1-amine (PubChem CID 130039908) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is (1S)-1-cyclohexyl-3,3-dimethylbutan-1-amine.

Molecular Properties

Compound Name(1S)-1-cyclohexyl-3,3-dimethylbutan-1-amine
PubChem CID130039908
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC Name(1S)-1-cyclohexyl-3,3-dimethylbutan-1-amine
SMILESCC(C)(C)C[C@H](N)C1CCCCC1
InChIInChI=1S/C12H25N/c1-12(2,3)9-11(13)10-7-5-4-6-8-10/h10-11H,4-9,13H2,1-3H3/t11-/m0/s1
InChIKeyCXKMLWQWPOBTET-NSHDSACASA-N
XLogP3.33
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.34
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclopentyl-3,5,5-trimethylhexan-1-amine
CID 115778345
1-cyclohexyl-3,4,4-trimethylpentan-1-amine
CID 114981190
1-(3,4-dimethylcyclohexyl)-3,3-dimethylbutan-1-amine
CID 64738046
(1R)-1-cyclobutyl-3,3,3-trifluoropropan-1-amine
CID 55293378
(1S)-1,2-dicyclohexylethanamine
CID 44574818
2-cycloheptyl-1-cyclopentylethanamine
CID 115779065
1-cyclooctyl-3-cyclopropylpropan-1-amine
CID 80603761
1-cyclohexyl-N'-(3,3-dimethylbutan-2-yl)-N'-methylethane-1,2-diamine
CID 113448166
(1S)-1-cyclopentylethane-1,2-diamine
CID 55292792
1-cyclopentyl-2-methylsulfanylethanamine
CID 62691520
2-cyclobutyl-1-cycloheptylethanamine
CID 65457005
1-cycloheptyl-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 82931326

Frequently Asked Questions

What is the IUPAC name of (1S)-1-cyclohexyl-3,3-dimethylbutan-1-amine?
The IUPAC name of (1S)-1-cyclohexyl-3,3-dimethylbutan-1-amine (CID 130039908) is (1S)-1-cyclohexyl-3,3-dimethylbutan-1-amine.
What is the SMILES notation for (1S)-1-cyclohexyl-3,3-dimethylbutan-1-amine?
The canonical SMILES for (1S)-1-cyclohexyl-3,3-dimethylbutan-1-amine is CC(C)(C)C[C@H](N)C1CCCCC1.
What is the InChIKey of (1S)-1-cyclohexyl-3,3-dimethylbutan-1-amine?
The InChIKey is CXKMLWQWPOBTET-NSHDSACASA-N. The full InChI is InChI=1S/C12H25N/c1-12(2,3)9-11(13)10-7-5-4-6-8-10/h10-11H,4-9,13H2,1-3H3/t11-/m0/s1.
What are the key properties of (1S)-1-cyclohexyl-3,3-dimethylbutan-1-amine?
(1S)-1-cyclohexyl-3,3-dimethylbutan-1-amine has a molecular weight of 183.34 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-cyclohexyl-3,3-dimethylbutan-1-amine is sourced from PubChem (CID 130039908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).