1-(2,2-dimethylcyclopentyl)-2-methylpentan-1-amine

C13H27N — CID 107893419

IUPAC1-(2,2-dimethylcyclopentyl)-2-methylpentan-1-amine
SMILESCCCC(C)C(N)C1CCCC1(C)C
InChIInChI=1S/C13H27N/c1-5-7-10(2)12(14)11-8-6-9-13(11,3)4/h10-12H,5-9,14H2,1-4H3
InChIKeyFGSHPMBTHLCMAY-UHFFFAOYSA-N
MW197.37 g/mol
LogP3.58
Rot. Bonds4

About 1-(2,2-dimethylcyclopentyl)-2-methylpentan-1-amine

1-(2,2-dimethylcyclopentyl)-2-methylpentan-1-amine (PubChem CID 107893419) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is 1-(2,2-dimethylcyclopentyl)-2-methylpentan-1-amine.

Molecular Properties

Compound Name1-(2,2-dimethylcyclopentyl)-2-methylpentan-1-amine
PubChem CID107893419
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC Name1-(2,2-dimethylcyclopentyl)-2-methylpentan-1-amine
SMILESCCCC(C)C(N)C1CCCC1(C)C
InChIInChI=1S/C13H27N/c1-5-7-10(2)12(14)11-8-6-9-13(11,3)4/h10-12H,5-9,14H2,1-4H3
InChIKeyFGSHPMBTHLCMAY-UHFFFAOYSA-N
XLogP3.58
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
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 1-(2,2-dimethylcyclopentyl)-2-methylpentan-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 1-(2,2-dimethylcyclopentyl)-2-methylpentan-1-amine?
The IUPAC name of 1-(2,2-dimethylcyclopentyl)-2-methylpentan-1-amine (CID 107893419) is 1-(2,2-dimethylcyclopentyl)-2-methylpentan-1-amine.
What is the SMILES notation for 1-(2,2-dimethylcyclopentyl)-2-methylpentan-1-amine?
The canonical SMILES for 1-(2,2-dimethylcyclopentyl)-2-methylpentan-1-amine is CCCC(C)C(N)C1CCCC1(C)C.
What is the InChIKey of 1-(2,2-dimethylcyclopentyl)-2-methylpentan-1-amine?
The InChIKey is FGSHPMBTHLCMAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N/c1-5-7-10(2)12(14)11-8-6-9-13(11,3)4/h10-12H,5-9,14H2,1-4H3.
What are the key properties of 1-(2,2-dimethylcyclopentyl)-2-methylpentan-1-amine?
1-(2,2-dimethylcyclopentyl)-2-methylpentan-1-amine has a molecular weight of 197.37 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylcyclopentyl)-2-methylpentan-1-amine is sourced from PubChem (CID 107893419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).