4,4-dimethyl-1-(3-methylbutan-2-yl)cyclohexan-1-amine

C13H27N — CID 130647932

IUPAC4,4-dimethyl-1-(3-methylbutan-2-yl)cyclohexan-1-amine
SMILESCC(C)C(C)C1(N)CCC(C)(C)CC1
InChIInChI=1S/C13H27N/c1-10(2)11(3)13(14)8-6-12(4,5)7-9-13/h10-11H,6-9,14H2,1-5H3
InChIKeyUFXFARLCIOSVOA-UHFFFAOYSA-N
MW197.37 g/mol
LogP3.58
Rot. Bonds2

About 4,4-dimethyl-1-(3-methylbutan-2-yl)cyclohexan-1-amine

4,4-dimethyl-1-(3-methylbutan-2-yl)cyclohexan-1-amine (PubChem CID 130647932) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is 4,4-dimethyl-1-(3-methylbutan-2-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name4,4-dimethyl-1-(3-methylbutan-2-yl)cyclohexan-1-amine
PubChem CID130647932
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC Name4,4-dimethyl-1-(3-methylbutan-2-yl)cyclohexan-1-amine
SMILESCC(C)C(C)C1(N)CCC(C)(C)CC1
InChIInChI=1S/C13H27N/c1-10(2)11(3)13(14)8-6-12(4,5)7-9-13/h10-11H,6-9,14H2,1-5H3
InChIKeyUFXFARLCIOSVOA-UHFFFAOYSA-N
XLogP3.58
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
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

Analyze 4,4-dimethyl-1-(3-methylbutan-2-yl)cyclohexan-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

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1-(3-methylbutan-2-yl)cyclohexan-1-amine?
The IUPAC name of 4,4-dimethyl-1-(3-methylbutan-2-yl)cyclohexan-1-amine (CID 130647932) is 4,4-dimethyl-1-(3-methylbutan-2-yl)cyclohexan-1-amine.
What is the SMILES notation for 4,4-dimethyl-1-(3-methylbutan-2-yl)cyclohexan-1-amine?
The canonical SMILES for 4,4-dimethyl-1-(3-methylbutan-2-yl)cyclohexan-1-amine is CC(C)C(C)C1(N)CCC(C)(C)CC1.
What is the InChIKey of 4,4-dimethyl-1-(3-methylbutan-2-yl)cyclohexan-1-amine?
The InChIKey is UFXFARLCIOSVOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N/c1-10(2)11(3)13(14)8-6-12(4,5)7-9-13/h10-11H,6-9,14H2,1-5H3.
What are the key properties of 4,4-dimethyl-1-(3-methylbutan-2-yl)cyclohexan-1-amine?
4,4-dimethyl-1-(3-methylbutan-2-yl)cyclohexan-1-amine has a molecular weight of 197.37 g/mol, XLogP of 3.58, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-(3-methylbutan-2-yl)cyclohexan-1-amine is sourced from PubChem (CID 130647932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).