(3,4-dimethylcyclohexyl) 2-amino-1-methylcyclopentane-1-carboxylate

C15H27NO2 — CID 82762505

IUPAC(3,4-dimethylcyclohexyl) 2-amino-1-methylcyclopentane-1-carboxylate
SMILESCC1CCC(OC(=O)C2(C)CCCC2N)CC1C
InChIInChI=1S/C15H27NO2/c1-10-6-7-12(9-11(10)2)18-14(17)15(3)8-4-5-13(15)16/h10-13H,4-9,16H2,1-3H3
InChIKeyLFEQHTGRIPMPGU-UHFFFAOYSA-N
MW253.39 g/mol
LogP2.87
Rot. Bonds2

About (3,4-dimethylcyclohexyl) 2-amino-1-methylcyclopentane-1-carboxylate

(3,4-dimethylcyclohexyl) 2-amino-1-methylcyclopentane-1-carboxylate (PubChem CID 82762505) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is (3,4-dimethylcyclohexyl) 2-amino-1-methylcyclopentane-1-carboxylate.

Molecular Properties

Compound Name(3,4-dimethylcyclohexyl) 2-amino-1-methylcyclopentane-1-carboxylate
PubChem CID82762505
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Name(3,4-dimethylcyclohexyl) 2-amino-1-methylcyclopentane-1-carboxylate
SMILESCC1CCC(OC(=O)C2(C)CCCC2N)CC1C
InChIInChI=1S/C15H27NO2/c1-10-6-7-12(9-11(10)2)18-14(17)15(3)8-4-5-13(15)16/h10-13H,4-9,16H2,1-3H3
InChIKeyLFEQHTGRIPMPGU-UHFFFAOYSA-N
XLogP2.87
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3,4-dimethylcyclohexyl) 2-amino-1-methylcyclopentane-1-carboxylate 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 (3,4-dimethylcyclohexyl) 2-amino-1-methylcyclopentane-1-carboxylate?
The IUPAC name of (3,4-dimethylcyclohexyl) 2-amino-1-methylcyclopentane-1-carboxylate (CID 82762505) is (3,4-dimethylcyclohexyl) 2-amino-1-methylcyclopentane-1-carboxylate.
What is the SMILES notation for (3,4-dimethylcyclohexyl) 2-amino-1-methylcyclopentane-1-carboxylate?
The canonical SMILES for (3,4-dimethylcyclohexyl) 2-amino-1-methylcyclopentane-1-carboxylate is CC1CCC(OC(=O)C2(C)CCCC2N)CC1C.
What is the InChIKey of (3,4-dimethylcyclohexyl) 2-amino-1-methylcyclopentane-1-carboxylate?
The InChIKey is LFEQHTGRIPMPGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2/c1-10-6-7-12(9-11(10)2)18-14(17)15(3)8-4-5-13(15)16/h10-13H,4-9,16H2,1-3H3.
What are the key properties of (3,4-dimethylcyclohexyl) 2-amino-1-methylcyclopentane-1-carboxylate?
(3,4-dimethylcyclohexyl) 2-amino-1-methylcyclopentane-1-carboxylate has a molecular weight of 253.39 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethylcyclohexyl) 2-amino-1-methylcyclopentane-1-carboxylate is sourced from PubChem (CID 82762505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).