1-[cyclopropyl(methyl)amino]-4-ethylcyclohexane-1-carboxylic acid

C13H23NO2 — CID 82238491

IUPAC1-[cyclopropyl(methyl)amino]-4-ethylcyclohexane-1-carboxylic acid
SMILESCCC1CCC(C(=O)O)(N(C)C2CC2)CC1
InChIInChI=1S/C13H23NO2/c1-3-10-6-8-13(9-7-10,12(15)16)14(2)11-4-5-11/h10-11H,3-9H2,1-2H3,(H,15,16)
InChIKeyVYJGLWRETDDVPE-UHFFFAOYSA-N
MW225.33 g/mol
LogP2.50
Rot. Bonds4

About 1-[cyclopropyl(methyl)amino]-4-ethylcyclohexane-1-carboxylic acid

1-[cyclopropyl(methyl)amino]-4-ethylcyclohexane-1-carboxylic acid (PubChem CID 82238491) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 1-[cyclopropyl(methyl)amino]-4-ethylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[cyclopropyl(methyl)amino]-4-ethylcyclohexane-1-carboxylic acid
PubChem CID82238491
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name1-[cyclopropyl(methyl)amino]-4-ethylcyclohexane-1-carboxylic acid
SMILESCCC1CCC(C(=O)O)(N(C)C2CC2)CC1
InChIInChI=1S/C13H23NO2/c1-3-10-6-8-13(9-7-10,12(15)16)14(2)11-4-5-11/h10-11H,3-9H2,1-2H3,(H,15,16)
InChIKeyVYJGLWRETDDVPE-UHFFFAOYSA-N
XLogP2.50
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[cyclopropyl(methyl)amino]-4-ethylcyclohexane-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-[cyclopropyl(methyl)amino]-4-ethylcyclohexane-1-carboxylic acid?
The IUPAC name of 1-[cyclopropyl(methyl)amino]-4-ethylcyclohexane-1-carboxylic acid (CID 82238491) is 1-[cyclopropyl(methyl)amino]-4-ethylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[cyclopropyl(methyl)amino]-4-ethylcyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[cyclopropyl(methyl)amino]-4-ethylcyclohexane-1-carboxylic acid is CCC1CCC(C(=O)O)(N(C)C2CC2)CC1.
What is the InChIKey of 1-[cyclopropyl(methyl)amino]-4-ethylcyclohexane-1-carboxylic acid?
The InChIKey is VYJGLWRETDDVPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-3-10-6-8-13(9-7-10,12(15)16)14(2)11-4-5-11/h10-11H,3-9H2,1-2H3,(H,15,16).
What are the key properties of 1-[cyclopropyl(methyl)amino]-4-ethylcyclohexane-1-carboxylic acid?
1-[cyclopropyl(methyl)amino]-4-ethylcyclohexane-1-carboxylic acid has a molecular weight of 225.33 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[cyclopropyl(methyl)amino]-4-ethylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 82238491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).