1-(cycloheptylamino)-3-cyclopropylcyclohexane-1-carboxylic acid

C17H29NO2 — CID 64624848

IUPAC1-(cycloheptylamino)-3-cyclopropylcyclohexane-1-carboxylic acid
SMILESO=C(O)C1(NC2CCCCCC2)CCCC(C2CC2)C1
InChIInChI=1S/C17H29NO2/c19-16(20)17(18-15-7-3-1-2-4-8-15)11-5-6-14(12-17)13-9-10-13/h13-15,18H,1-12H2,(H,19,20)
InChIKeyWRYGKFKEHSEZTK-UHFFFAOYSA-N
MW279.42 g/mol
LogP3.72
Rot. Bonds4

About 1-(cycloheptylamino)-3-cyclopropylcyclohexane-1-carboxylic acid

1-(cycloheptylamino)-3-cyclopropylcyclohexane-1-carboxylic acid (PubChem CID 64624848) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is 1-(cycloheptylamino)-3-cyclopropylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-(cycloheptylamino)-3-cyclopropylcyclohexane-1-carboxylic acid
PubChem CID64624848
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC Name1-(cycloheptylamino)-3-cyclopropylcyclohexane-1-carboxylic acid
SMILESO=C(O)C1(NC2CCCCCC2)CCCC(C2CC2)C1
InChIInChI=1S/C17H29NO2/c19-16(20)17(18-15-7-3-1-2-4-8-15)11-5-6-14(12-17)13-9-10-13/h13-15,18H,1-12H2,(H,19,20)
InChIKeyWRYGKFKEHSEZTK-UHFFFAOYSA-N
XLogP3.72
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(cycloheptylamino)-3-cyclopropylcyclohexane-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

Frequently Asked Questions

What is the IUPAC name of 1-(cycloheptylamino)-3-cyclopropylcyclohexane-1-carboxylic acid?
The IUPAC name of 1-(cycloheptylamino)-3-cyclopropylcyclohexane-1-carboxylic acid (CID 64624848) is 1-(cycloheptylamino)-3-cyclopropylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-(cycloheptylamino)-3-cyclopropylcyclohexane-1-carboxylic acid?
The canonical SMILES for 1-(cycloheptylamino)-3-cyclopropylcyclohexane-1-carboxylic acid is O=C(O)C1(NC2CCCCCC2)CCCC(C2CC2)C1.
What is the InChIKey of 1-(cycloheptylamino)-3-cyclopropylcyclohexane-1-carboxylic acid?
The InChIKey is WRYGKFKEHSEZTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c19-16(20)17(18-15-7-3-1-2-4-8-15)11-5-6-14(12-17)13-9-10-13/h13-15,18H,1-12H2,(H,19,20).
What are the key properties of 1-(cycloheptylamino)-3-cyclopropylcyclohexane-1-carboxylic acid?
1-(cycloheptylamino)-3-cyclopropylcyclohexane-1-carboxylic acid has a molecular weight of 279.42 g/mol, XLogP of 3.72, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cycloheptylamino)-3-cyclopropylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 64624848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).