1-(cyclopentylamino)-5-methyl-2-propan-2-ylcyclohexane-1-carboxylic acid

C16H29NO2 — CID 55027769

IUPAC1-(cyclopentylamino)-5-methyl-2-propan-2-ylcyclohexane-1-carboxylic acid
SMILESCC1CCC(C(C)C)C(NC2CCCC2)(C(=O)O)C1
InChIInChI=1S/C16H29NO2/c1-11(2)14-9-8-12(3)10-16(14,15(18)19)17-13-6-4-5-7-13/h11-14,17H,4-10H2,1-3H3,(H,18,19)
InChIKeyWCTVEIAHLYJQQJ-UHFFFAOYSA-N
MW267.41 g/mol
LogP3.43
Rot. Bonds4

About 1-(cyclopentylamino)-5-methyl-2-propan-2-ylcyclohexane-1-carboxylic acid

1-(cyclopentylamino)-5-methyl-2-propan-2-ylcyclohexane-1-carboxylic acid (PubChem CID 55027769) has the molecular formula C16H29NO2 and a molecular weight of 267.41 g/mol. Its IUPAC name is 1-(cyclopentylamino)-5-methyl-2-propan-2-ylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-(cyclopentylamino)-5-methyl-2-propan-2-ylcyclohexane-1-carboxylic acid
PubChem CID55027769
Molecular FormulaC16H29NO2
Molecular Weight267.41 g/mol
Exact Mass267.22
IUPAC Name1-(cyclopentylamino)-5-methyl-2-propan-2-ylcyclohexane-1-carboxylic acid
SMILESCC1CCC(C(C)C)C(NC2CCCC2)(C(=O)O)C1
InChIInChI=1S/C16H29NO2/c1-11(2)14-9-8-12(3)10-16(14,15(18)19)17-13-6-4-5-7-13/h11-14,17H,4-10H2,1-3H3,(H,18,19)
InChIKeyWCTVEIAHLYJQQJ-UHFFFAOYSA-N
XLogP3.43
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.41
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-hydroxyethylamino)-5-methyl-2-propan-2-ylcyclohexane-1-carboxylic acid
CID 57200441
1-(2-azidoethylamino)-5-methyl-2-propan-2-ylcyclohexane-1-carboxylic acid
CID 66189204
1-(cycloheptylamino)-2-methylcyclohexane-1-carboxylic acid
CID 60997493
1-(cyclopentylamino)-2,4,4-trimethylcyclohexane-1-carboxylic acid
CID 81321246
ethyl 1-(ethylamino)-5-methyl-2-propan-2-ylcyclohexane-1-carboxylate
CID 54918720
1-(butan-2-ylamino)-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 54908142
2-[5-methyl-1-(methylamino)-2-propan-2-ylcyclohexyl]acetic acid
CID 65236938
ethyl 5-methyl-2-propan-2-yl-1-(propylamino)cyclohexane-1-carboxylate
CID 54918638
(1R)-1-hydroxy-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 175491800
3-(cyclopentylamino)-2-methyloxolane-3-carboxylic acid
CID 82719422
1-(cyclopentylamino)-4-propan-2-ylcyclohexane-1-carboxylic acid
CID 62704491
1-[(2S)-2-amino-2-cyclohexylethyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 140775967

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopentylamino)-5-methyl-2-propan-2-ylcyclohexane-1-carboxylic acid?
The IUPAC name of 1-(cyclopentylamino)-5-methyl-2-propan-2-ylcyclohexane-1-carboxylic acid (CID 55027769) is 1-(cyclopentylamino)-5-methyl-2-propan-2-ylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-(cyclopentylamino)-5-methyl-2-propan-2-ylcyclohexane-1-carboxylic acid?
The canonical SMILES for 1-(cyclopentylamino)-5-methyl-2-propan-2-ylcyclohexane-1-carboxylic acid is CC1CCC(C(C)C)C(NC2CCCC2)(C(=O)O)C1.
What is the InChIKey of 1-(cyclopentylamino)-5-methyl-2-propan-2-ylcyclohexane-1-carboxylic acid?
The InChIKey is WCTVEIAHLYJQQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO2/c1-11(2)14-9-8-12(3)10-16(14,15(18)19)17-13-6-4-5-7-13/h11-14,17H,4-10H2,1-3H3,(H,18,19).
What are the key properties of 1-(cyclopentylamino)-5-methyl-2-propan-2-ylcyclohexane-1-carboxylic acid?
1-(cyclopentylamino)-5-methyl-2-propan-2-ylcyclohexane-1-carboxylic acid has a molecular weight of 267.41 g/mol, XLogP of 3.43, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopentylamino)-5-methyl-2-propan-2-ylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 55027769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).