3-methyl-2-(4-methylcyclohexyl)butan-2-amine

C12H25N — CID 64748185

IUPAC3-methyl-2-(4-methylcyclohexyl)butan-2-amine
SMILESCC1CCC(C(C)(N)C(C)C)CC1
InChIInChI=1S/C12H25N/c1-9(2)12(4,13)11-7-5-10(3)6-8-11/h9-11H,5-8,13H2,1-4H3
InChIKeyASACUFVJJSFBJL-UHFFFAOYSA-N
MW183.34 g/mol
LogP3.19
Rot. Bonds2

About 3-methyl-2-(4-methylcyclohexyl)butan-2-amine

3-methyl-2-(4-methylcyclohexyl)butan-2-amine (PubChem CID 64748185) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is 3-methyl-2-(4-methylcyclohexyl)butan-2-amine.

Molecular Properties

Compound Name3-methyl-2-(4-methylcyclohexyl)butan-2-amine
PubChem CID64748185
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC Name3-methyl-2-(4-methylcyclohexyl)butan-2-amine
SMILESCC1CCC(C(C)(N)C(C)C)CC1
InChIInChI=1S/C12H25N/c1-9(2)12(4,13)11-7-5-10(3)6-8-11/h9-11H,5-8,13H2,1-4H3
InChIKeyASACUFVJJSFBJL-UHFFFAOYSA-N
XLogP3.19
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 ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-methyl-2-(4-methylcyclohexyl)butan-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

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(4-methylcyclohexyl)butan-2-amine?
The IUPAC name of 3-methyl-2-(4-methylcyclohexyl)butan-2-amine (CID 64748185) is 3-methyl-2-(4-methylcyclohexyl)butan-2-amine.
What is the SMILES notation for 3-methyl-2-(4-methylcyclohexyl)butan-2-amine?
The canonical SMILES for 3-methyl-2-(4-methylcyclohexyl)butan-2-amine is CC1CCC(C(C)(N)C(C)C)CC1.
What is the InChIKey of 3-methyl-2-(4-methylcyclohexyl)butan-2-amine?
The InChIKey is ASACUFVJJSFBJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N/c1-9(2)12(4,13)11-7-5-10(3)6-8-11/h9-11H,5-8,13H2,1-4H3.
What are the key properties of 3-methyl-2-(4-methylcyclohexyl)butan-2-amine?
3-methyl-2-(4-methylcyclohexyl)butan-2-amine has a molecular weight of 183.34 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(4-methylcyclohexyl)butan-2-amine is sourced from PubChem (CID 64748185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).