1-(cycloheptylamino)-2-methylcyclohexane-1-carboxylic acid

C15H27NO2 — CID 60997493

IUPAC1-(cycloheptylamino)-2-methylcyclohexane-1-carboxylic acid
SMILESCC1CCCCC1(NC1CCCCCC1)C(=O)O
InChIInChI=1S/C15H27NO2/c1-12-8-6-7-11-15(12,14(17)18)16-13-9-4-2-3-5-10-13/h12-13,16H,2-11H2,1H3,(H,17,18)
InChIKeySFCYQCRLILOGAX-UHFFFAOYSA-N
MW253.39 g/mol
LogP3.33
Rot. Bonds3

About 1-(cycloheptylamino)-2-methylcyclohexane-1-carboxylic acid

1-(cycloheptylamino)-2-methylcyclohexane-1-carboxylic acid (PubChem CID 60997493) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is 1-(cycloheptylamino)-2-methylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-(cycloheptylamino)-2-methylcyclohexane-1-carboxylic acid
PubChem CID60997493
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Name1-(cycloheptylamino)-2-methylcyclohexane-1-carboxylic acid
SMILESCC1CCCCC1(NC1CCCCCC1)C(=O)O
InChIInChI=1S/C15H27NO2/c1-12-8-6-7-11-15(12,14(17)18)16-13-9-4-2-3-5-10-13/h12-13,16H,2-11H2,1H3,(H,17,18)
InChIKeySFCYQCRLILOGAX-UHFFFAOYSA-N
XLogP3.33
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 ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(cyclopentylamino)-2-methylcyclohexane-1-carboxamide
CID 61001241
1-(cyclohexylcarbamoylamino)-2-methylcyclohexane-1-carboxylic acid
CID 61292847
1-acetamido-2-methylcyclohexane-1-carboxylic acid
CID 61292640
1-[(2,2-dimethylcyclopropyl)amino]-2-methylcyclohexane-1-carboxylic acid
CID 115000314
1-(cyclopentylamino)-2,4,4-trimethylcyclohexane-1-carboxylic acid
CID 81321246
methyl 1-(cyclopentylamino)-2-methylcyclopentane-1-carboxylate
CID 65045135
1-(cyclohexanecarbonylamino)-2-methylcyclohexane-1-carboxylic acid
CID 61293575
3-(cyclopentylamino)-2-methyloxolane-3-carboxylic acid
CID 82719422
1-(methoxycarbonylsulfamoylamino)-2-methylcyclohexane-1-carboxylic acid
CID 114462405
1-(4-chloroanilino)-2-methylcyclohexane-1-carboxylic acid
CID 60994323
1-(cyclopentylamino)-5-methyl-2-propan-2-ylcyclohexane-1-carboxylic acid
CID 55027769
1-[(2-methoxyacetyl)amino]-2-methylcyclohexane-1-carboxylic acid
CID 61295410

Frequently Asked Questions

What is the IUPAC name of 1-(cycloheptylamino)-2-methylcyclohexane-1-carboxylic acid?
The IUPAC name of 1-(cycloheptylamino)-2-methylcyclohexane-1-carboxylic acid (CID 60997493) is 1-(cycloheptylamino)-2-methylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-(cycloheptylamino)-2-methylcyclohexane-1-carboxylic acid?
The canonical SMILES for 1-(cycloheptylamino)-2-methylcyclohexane-1-carboxylic acid is CC1CCCCC1(NC1CCCCCC1)C(=O)O.
What is the InChIKey of 1-(cycloheptylamino)-2-methylcyclohexane-1-carboxylic acid?
The InChIKey is SFCYQCRLILOGAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2/c1-12-8-6-7-11-15(12,14(17)18)16-13-9-4-2-3-5-10-13/h12-13,16H,2-11H2,1H3,(H,17,18).
What are the key properties of 1-(cycloheptylamino)-2-methylcyclohexane-1-carboxylic acid?
1-(cycloheptylamino)-2-methylcyclohexane-1-carboxylic acid has a molecular weight of 253.39 g/mol, XLogP of 3.33, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cycloheptylamino)-2-methylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 60997493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).