(5-methyl-2-propan-2-ylcyclohexyl) N-ethylcarbamate

C13H25NO2 — CID 10013977

IUPAC(5-methyl-2-propan-2-ylcyclohexyl) N-ethylcarbamate
SMILESCCNC(=O)OC1CC(C)CCC1C(C)C
InChIInChI=1S/C13H25NO2/c1-5-14-13(15)16-12-8-10(4)6-7-11(12)9(2)3/h9-12H,5-8H2,1-4H3,(H,14,15)
InChIKeyJQFDIOKZPWALRI-UHFFFAOYSA-N
MW227.35 g/mol
LogP3.19
Rot. Bonds3

About (5-methyl-2-propan-2-ylcyclohexyl) N-ethylcarbamate

(5-methyl-2-propan-2-ylcyclohexyl) N-ethylcarbamate (PubChem CID 10013977) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is (5-methyl-2-propan-2-ylcyclohexyl) N-ethylcarbamate.

Molecular Properties

Compound Name(5-methyl-2-propan-2-ylcyclohexyl) N-ethylcarbamate
PubChem CID10013977
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name(5-methyl-2-propan-2-ylcyclohexyl) N-ethylcarbamate
SMILESCCNC(=O)OC1CC(C)CCC1C(C)C
InChIInChI=1S/C13H25NO2/c1-5-14-13(15)16-12-8-10(4)6-7-11(12)9(2)3/h9-12H,5-8H2,1-4H3,(H,14,15)
InChIKeyJQFDIOKZPWALRI-UHFFFAOYSA-N
XLogP3.19
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (5-methyl-2-propan-2-ylcyclohexyl) N-ethylcarbamate 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 (5-methyl-2-propan-2-ylcyclohexyl) N-ethylcarbamate?
The IUPAC name of (5-methyl-2-propan-2-ylcyclohexyl) N-ethylcarbamate (CID 10013977) is (5-methyl-2-propan-2-ylcyclohexyl) N-ethylcarbamate.
What is the SMILES notation for (5-methyl-2-propan-2-ylcyclohexyl) N-ethylcarbamate?
The canonical SMILES for (5-methyl-2-propan-2-ylcyclohexyl) N-ethylcarbamate is CCNC(=O)OC1CC(C)CCC1C(C)C.
What is the InChIKey of (5-methyl-2-propan-2-ylcyclohexyl) N-ethylcarbamate?
The InChIKey is JQFDIOKZPWALRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-5-14-13(15)16-12-8-10(4)6-7-11(12)9(2)3/h9-12H,5-8H2,1-4H3,(H,14,15).
What are the key properties of (5-methyl-2-propan-2-ylcyclohexyl) N-ethylcarbamate?
(5-methyl-2-propan-2-ylcyclohexyl) N-ethylcarbamate has a molecular weight of 227.35 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-2-propan-2-ylcyclohexyl) N-ethylcarbamate is sourced from PubChem (CID 10013977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).