1-(cyclopentylamino)-2,4,4-trimethylcyclohexane-1-carboxylic acid

C15H27NO2 — CID 81321246

IUPAC1-(cyclopentylamino)-2,4,4-trimethylcyclohexane-1-carboxylic acid
SMILESCC1CC(C)(C)CCC1(NC1CCCC1)C(=O)O
InChIInChI=1S/C15H27NO2/c1-11-10-14(2,3)8-9-15(11,13(17)18)16-12-6-4-5-7-12/h11-12,16H,4-10H2,1-3H3,(H,17,18)
InChIKeyPYWFMYQNRDKIJC-UHFFFAOYSA-N
MW253.39 g/mol
LogP3.19
Rot. Bonds3

About 1-(cyclopentylamino)-2,4,4-trimethylcyclohexane-1-carboxylic acid

1-(cyclopentylamino)-2,4,4-trimethylcyclohexane-1-carboxylic acid (PubChem CID 81321246) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is 1-(cyclopentylamino)-2,4,4-trimethylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-(cyclopentylamino)-2,4,4-trimethylcyclohexane-1-carboxylic acid
PubChem CID81321246
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Name1-(cyclopentylamino)-2,4,4-trimethylcyclohexane-1-carboxylic acid
SMILESCC1CC(C)(C)CCC1(NC1CCCC1)C(=O)O
InChIInChI=1S/C15H27NO2/c1-11-10-14(2,3)8-9-15(11,13(17)18)16-12-6-4-5-7-12/h11-12,16H,4-10H2,1-3H3,(H,17,18)
InChIKeyPYWFMYQNRDKIJC-UHFFFAOYSA-N
XLogP3.19
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
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

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Related Compounds

1-(cycloheptylamino)-2-methylcyclohexane-1-carboxylic acid
CID 60997493
1-(cyclopentylamino)-5-methyl-2-propan-2-ylcyclohexane-1-carboxylic acid
CID 55027769
1-[(2,2-dimethylcyclopropyl)amino]-2-methylcyclohexane-1-carboxylic acid
CID 115000314
3-(cyclopentylamino)-2-methyloxolane-3-carboxylic acid
CID 82719422
1-(4-chloroanilino)-2,4,4-trimethylcyclohexane-1-carboxylic acid
CID 81321397
2,4,4-trimethyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexane-1-carboxylic acid
CID 81320527
methyl 2,4,4-trimethyl-1-(methylamino)cyclohexane-1-carboxylate
CID 81320916
1-(cyclopentylamino)-2-methylcyclohexane-1-carboxamide
CID 61001241
1-(cyclohexylamino)-3,3,5-trimethylcyclohexane-1-carboxylic acid
CID 60998427
methyl 1-(cyclopentylamino)-2-methylcyclopentane-1-carboxylate
CID 65045135
1-(3-fluoro-5-methylanilino)-2,4,4-trimethylcyclohexane-1-carboxylic acid
CID 81304882
1-acetamido-2-methylcyclohexane-1-carboxylic acid
CID 61292640

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopentylamino)-2,4,4-trimethylcyclohexane-1-carboxylic acid?
The IUPAC name of 1-(cyclopentylamino)-2,4,4-trimethylcyclohexane-1-carboxylic acid (CID 81321246) is 1-(cyclopentylamino)-2,4,4-trimethylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-(cyclopentylamino)-2,4,4-trimethylcyclohexane-1-carboxylic acid?
The canonical SMILES for 1-(cyclopentylamino)-2,4,4-trimethylcyclohexane-1-carboxylic acid is CC1CC(C)(C)CCC1(NC1CCCC1)C(=O)O.
What is the InChIKey of 1-(cyclopentylamino)-2,4,4-trimethylcyclohexane-1-carboxylic acid?
The InChIKey is PYWFMYQNRDKIJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2/c1-11-10-14(2,3)8-9-15(11,13(17)18)16-12-6-4-5-7-12/h11-12,16H,4-10H2,1-3H3,(H,17,18).
What are the key properties of 1-(cyclopentylamino)-2,4,4-trimethylcyclohexane-1-carboxylic acid?
1-(cyclopentylamino)-2,4,4-trimethylcyclohexane-1-carboxylic acid has a molecular weight of 253.39 g/mol, XLogP of 3.19, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopentylamino)-2,4,4-trimethylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 81321246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).