(3-methylcyclohexyl) N-ethylcarbamate

C10H19NO2 — CID 77424318

IUPAC(3-methylcyclohexyl) N-ethylcarbamate
SMILESCCNC(=O)OC1CCCC(C)C1
InChIInChI=1S/C10H19NO2/c1-3-11-10(12)13-9-6-4-5-8(2)7-9/h8-9H,3-7H2,1-2H3,(H,11,12)
InChIKeyDFXSABWPMCTCEL-UHFFFAOYSA-N
MW185.27 g/mol
LogP2.31
Rot. Bonds2

About (3-methylcyclohexyl) N-ethylcarbamate

(3-methylcyclohexyl) N-ethylcarbamate (PubChem CID 77424318) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is (3-methylcyclohexyl) N-ethylcarbamate.

Molecular Properties

Compound Name(3-methylcyclohexyl) N-ethylcarbamate
PubChem CID77424318
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name(3-methylcyclohexyl) N-ethylcarbamate
SMILESCCNC(=O)OC1CCCC(C)C1
InChIInChI=1S/C10H19NO2/c1-3-11-10(12)13-9-6-4-5-8(2)7-9/h8-9H,3-7H2,1-2H3,(H,11,12)
InChIKeyDFXSABWPMCTCEL-UHFFFAOYSA-N
XLogP2.31
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-methylcyclohexyl) N-ethylcarbamate?
The IUPAC name of (3-methylcyclohexyl) N-ethylcarbamate (CID 77424318) is (3-methylcyclohexyl) N-ethylcarbamate.
What is the SMILES notation for (3-methylcyclohexyl) N-ethylcarbamate?
The canonical SMILES for (3-methylcyclohexyl) N-ethylcarbamate is CCNC(=O)OC1CCCC(C)C1.
What is the InChIKey of (3-methylcyclohexyl) N-ethylcarbamate?
The InChIKey is DFXSABWPMCTCEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-3-11-10(12)13-9-6-4-5-8(2)7-9/h8-9H,3-7H2,1-2H3,(H,11,12).
What are the key properties of (3-methylcyclohexyl) N-ethylcarbamate?
(3-methylcyclohexyl) N-ethylcarbamate has a molecular weight of 185.27 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylcyclohexyl) N-ethylcarbamate is sourced from PubChem (CID 77424318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).