4-(4,4-dimethylcyclohexyl)-3-methylbutan-2-amine

C13H27N — CID 130596399

IUPAC4-(4,4-dimethylcyclohexyl)-3-methylbutan-2-amine
SMILESCC(N)C(C)CC1CCC(C)(C)CC1
InChIInChI=1S/C13H27N/c1-10(11(2)14)9-12-5-7-13(3,4)8-6-12/h10-12H,5-9,14H2,1-4H3
InChIKeySXBPQZZCULTGNY-UHFFFAOYSA-N
MW197.37 g/mol
LogP3.58
Rot. Bonds3

About 4-(4,4-dimethylcyclohexyl)-3-methylbutan-2-amine

4-(4,4-dimethylcyclohexyl)-3-methylbutan-2-amine (PubChem CID 130596399) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is 4-(4,4-dimethylcyclohexyl)-3-methylbutan-2-amine.

Molecular Properties

Compound Name4-(4,4-dimethylcyclohexyl)-3-methylbutan-2-amine
PubChem CID130596399
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC Name4-(4,4-dimethylcyclohexyl)-3-methylbutan-2-amine
SMILESCC(N)C(C)CC1CCC(C)(C)CC1
InChIInChI=1S/C13H27N/c1-10(11(2)14)9-12-5-7-13(3,4)8-6-12/h10-12H,5-9,14H2,1-4H3
InChIKeySXBPQZZCULTGNY-UHFFFAOYSA-N
XLogP3.58
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.37
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-cyclopropyl-1-(4,4-dimethylcyclohexyl)ethanamine
CID 65390231
(1S)-1-(4,4-dimethylcyclohexyl)ethanamine
CID 65391673
tert-butyl (2S)-2-amino-3-(4,4-dimethylcyclohexyl)propanoate
CID 126559741
3-amino-1-(3,3-difluorocyclopentyl)butan-2-ol
CID 164658398
[(2R)-2,3-dimethylbutyl]cyclopropane
CID 58368146
2-(3,3-dimethylcyclopentyl)ethanol
CID 84648793
[2-cyclopentyl-1-(4,4-dimethylcyclohexyl)ethyl]hydrazine
CID 105231643
1-bromo-4-[(2S)-1-(4,4-dimethylcyclohexyl)propan-2-yl]benzene
CID 58276340
1-(4,4-dimethylcycloheptyl)-2-methylpropan-1-amine
CID 79299029
[(1S)-3,3-dimethylcyclopentyl]methanol
CID 159914707
1-[4-fluoro-4-(trifluoromethyl)cyclohexyl]propan-2-amine
CID 84735871
1-cyclopropyl-3-methylpentan-2-amine
CID 64904257

Frequently Asked Questions

What is the IUPAC name of 4-(4,4-dimethylcyclohexyl)-3-methylbutan-2-amine?
The IUPAC name of 4-(4,4-dimethylcyclohexyl)-3-methylbutan-2-amine (CID 130596399) is 4-(4,4-dimethylcyclohexyl)-3-methylbutan-2-amine.
What is the SMILES notation for 4-(4,4-dimethylcyclohexyl)-3-methylbutan-2-amine?
The canonical SMILES for 4-(4,4-dimethylcyclohexyl)-3-methylbutan-2-amine is CC(N)C(C)CC1CCC(C)(C)CC1.
What is the InChIKey of 4-(4,4-dimethylcyclohexyl)-3-methylbutan-2-amine?
The InChIKey is SXBPQZZCULTGNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N/c1-10(11(2)14)9-12-5-7-13(3,4)8-6-12/h10-12H,5-9,14H2,1-4H3.
What are the key properties of 4-(4,4-dimethylcyclohexyl)-3-methylbutan-2-amine?
4-(4,4-dimethylcyclohexyl)-3-methylbutan-2-amine has a molecular weight of 197.37 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,4-dimethylcyclohexyl)-3-methylbutan-2-amine is sourced from PubChem (CID 130596399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).