1-(cyclopentylamino)-4-propan-2-ylcyclohexane-1-carboxylic acid

C15H27NO2 — CID 62704491

IUPAC1-(cyclopentylamino)-4-propan-2-ylcyclohexane-1-carboxylic acid
SMILESCC(C)C1CCC(NC2CCCC2)(C(=O)O)CC1
InChIInChI=1S/C15H27NO2/c1-11(2)12-7-9-15(10-8-12,14(17)18)16-13-5-3-4-6-13/h11-13,16H,3-10H2,1-2H3,(H,17,18)
InChIKeyDPVXCDMAHRUXJJ-UHFFFAOYSA-N
MW253.39 g/mol
LogP3.19
Rot. Bonds4

About 1-(cyclopentylamino)-4-propan-2-ylcyclohexane-1-carboxylic acid

1-(cyclopentylamino)-4-propan-2-ylcyclohexane-1-carboxylic acid (PubChem CID 62704491) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is 1-(cyclopentylamino)-4-propan-2-ylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-(cyclopentylamino)-4-propan-2-ylcyclohexane-1-carboxylic acid
PubChem CID62704491
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Name1-(cyclopentylamino)-4-propan-2-ylcyclohexane-1-carboxylic acid
SMILESCC(C)C1CCC(NC2CCCC2)(C(=O)O)CC1
InChIInChI=1S/C15H27NO2/c1-11(2)12-7-9-15(10-8-12,14(17)18)16-13-5-3-4-6-13/h11-13,16H,3-10H2,1-2H3,(H,17,18)
InChIKeyDPVXCDMAHRUXJJ-UHFFFAOYSA-N
XLogP3.19
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(cyclopentylamino)-4-propan-2-ylcyclohexane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(cycloheptylamino)-4-propan-2-ylcyclohexane-1-carboxylic acid
CID 63449213
1-(cyclohexylamino)-4-propan-2-ylcycloheptane-1-carboxamide
CID 65089013
1-(cyclopropylamino)-3-propan-2-ylcyclobutane-1-carboxylic acid
CID 103563390
1-(cyclobutylamino)-4-methylcyclohexane-1-carboxylic acid
CID 82237604
4-(cyclopentylamino)-1-propan-2-ylazepane-4-carboxylic acid
CID 65076211
4-(cyclopentylamino)piperidine-4-carboxylic acid
CID 61243380
4-(cycloheptylamino)thiane-4-carboxylic acid
CID 61319838
1-(cyclopropylamino)cyclododecane-1-carboxylic acid
CID 43754451
4-(cyclopentylamino)-1-ethylpiperidine-4-carboxylic acid
CID 54894276
4-(cyclopentylamino)-1-methylazepane-4-carboxylic acid
CID 65075216
1-[(4-methylcyclohexyl)amino]cyclobutane-1-carboxylic acid
CID 81167483
methyl 1-(methylamino)-4-propan-2-ylcycloheptane-1-carboxylate
CID 65088968

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopentylamino)-4-propan-2-ylcyclohexane-1-carboxylic acid?
The IUPAC name of 1-(cyclopentylamino)-4-propan-2-ylcyclohexane-1-carboxylic acid (CID 62704491) is 1-(cyclopentylamino)-4-propan-2-ylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-(cyclopentylamino)-4-propan-2-ylcyclohexane-1-carboxylic acid?
The canonical SMILES for 1-(cyclopentylamino)-4-propan-2-ylcyclohexane-1-carboxylic acid is CC(C)C1CCC(NC2CCCC2)(C(=O)O)CC1.
What is the InChIKey of 1-(cyclopentylamino)-4-propan-2-ylcyclohexane-1-carboxylic acid?
The InChIKey is DPVXCDMAHRUXJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2/c1-11(2)12-7-9-15(10-8-12,14(17)18)16-13-5-3-4-6-13/h11-13,16H,3-10H2,1-2H3,(H,17,18).
What are the key properties of 1-(cyclopentylamino)-4-propan-2-ylcyclohexane-1-carboxylic acid?
1-(cyclopentylamino)-4-propan-2-ylcyclohexane-1-carboxylic acid has a molecular weight of 253.39 g/mol, XLogP of 3.19, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopentylamino)-4-propan-2-ylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 62704491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).