hexyl N-cyclohexylcarbamate

C13H25NO2 — CID 10998746

IUPAChexyl N-cyclohexylcarbamate
SMILESCCCCCCOC(=O)NC1CCCCC1
InChIInChI=1S/C13H25NO2/c1-2-3-4-8-11-16-13(15)14-12-9-6-5-7-10-12/h12H,2-11H2,1H3,(H,14,15)
InChIKeyPXKAHSXZPDMGBF-UHFFFAOYSA-N
MW227.35 g/mol
LogP3.63
Rot. Bonds6

About hexyl N-cyclohexylcarbamate

hexyl N-cyclohexylcarbamate (PubChem CID 10998746) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is hexyl N-cyclohexylcarbamate.

Molecular Properties

Compound Namehexyl N-cyclohexylcarbamate
PubChem CID10998746
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Namehexyl N-cyclohexylcarbamate
SMILESCCCCCCOC(=O)NC1CCCCC1
InChIInChI=1S/C13H25NO2/c1-2-3-4-8-11-16-13(15)14-12-9-6-5-7-10-12/h12H,2-11H2,1H3,(H,14,15)
InChIKeyPXKAHSXZPDMGBF-UHFFFAOYSA-N
XLogP3.63
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze hexyl N-cyclohexylcarbamate 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 hexyl N-cyclohexylcarbamate?
The IUPAC name of hexyl N-cyclohexylcarbamate (CID 10998746) is hexyl N-cyclohexylcarbamate.
What is the SMILES notation for hexyl N-cyclohexylcarbamate?
The canonical SMILES for hexyl N-cyclohexylcarbamate is CCCCCCOC(=O)NC1CCCCC1.
What is the InChIKey of hexyl N-cyclohexylcarbamate?
The InChIKey is PXKAHSXZPDMGBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-2-3-4-8-11-16-13(15)14-12-9-6-5-7-10-12/h12H,2-11H2,1H3,(H,14,15).
What are the key properties of hexyl N-cyclohexylcarbamate?
hexyl N-cyclohexylcarbamate has a molecular weight of 227.35 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hexyl N-cyclohexylcarbamate is sourced from PubChem (CID 10998746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).