3-methylbutyl N-cyclohexylcarbamate

C12H23NO2 — CID 86243713

IUPAC3-methylbutyl N-cyclohexylcarbamate
SMILESCC(C)CCOC(=O)NC1CCCCC1
InChIInChI=1S/C12H23NO2/c1-10(2)8-9-15-12(14)13-11-6-4-3-5-7-11/h10-11H,3-9H2,1-2H3,(H,13,14)
InChIKeyJVVRBJSMFQDSOW-UHFFFAOYSA-N
MW213.32 g/mol
LogP3.09
Rot. Bonds4

About 3-methylbutyl N-cyclohexylcarbamate

3-methylbutyl N-cyclohexylcarbamate (PubChem CID 86243713) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 3-methylbutyl N-cyclohexylcarbamate.

Molecular Properties

Compound Name3-methylbutyl N-cyclohexylcarbamate
PubChem CID86243713
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name3-methylbutyl N-cyclohexylcarbamate
SMILESCC(C)CCOC(=O)NC1CCCCC1
InChIInChI=1S/C12H23NO2/c1-10(2)8-9-15-12(14)13-11-6-4-3-5-7-11/h10-11H,3-9H2,1-2H3,(H,13,14)
InChIKeyJVVRBJSMFQDSOW-UHFFFAOYSA-N
XLogP3.09
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromoethyl N-cyclohexylcarbamate
CID 112683003
2-aminoethyl N-cyclohexylcarbamate;molecular hydrogen
CID 159671742
octadecyl N-cyclohexylcarbamate
CID 70449091
octyl N-cyclohexylcarbamate
CID 141434119
2-methylpropyl N-(1,2-diazacyclopentadecen-6-yl)carbamate
CID 141404608
16-methylheptadecyl N-[2-(16-methylheptadecoxycarbonylamino)cyclohexyl]carbamate
CID 90125991
propan-2-yl N-cyclooctylcarbamate
CID 116653938
methyl N-cyclohexadecylcarbamate
CID 131977131
2-amino-N-cyclooctyl-3-methoxypropanamide
CID 81082114
2-buta-1,3-dien-2-yloxyethyl N-cyclohexylcarbamate
CID 89330994
3-(cyclohexylcarbamoyloxy)propane-1-sulfonic acid
CID 118371123
propan-2-ylcarbamoyl N-cyclohexylcarbamate
CID 154236264

Frequently Asked Questions

What is the IUPAC name of 3-methylbutyl N-cyclohexylcarbamate?
The IUPAC name of 3-methylbutyl N-cyclohexylcarbamate (CID 86243713) is 3-methylbutyl N-cyclohexylcarbamate.
What is the SMILES notation for 3-methylbutyl N-cyclohexylcarbamate?
The canonical SMILES for 3-methylbutyl N-cyclohexylcarbamate is CC(C)CCOC(=O)NC1CCCCC1.
What is the InChIKey of 3-methylbutyl N-cyclohexylcarbamate?
The InChIKey is JVVRBJSMFQDSOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-10(2)8-9-15-12(14)13-11-6-4-3-5-7-11/h10-11H,3-9H2,1-2H3,(H,13,14).
What are the key properties of 3-methylbutyl N-cyclohexylcarbamate?
3-methylbutyl N-cyclohexylcarbamate has a molecular weight of 213.32 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylbutyl N-cyclohexylcarbamate is sourced from PubChem (CID 86243713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).