cyclohexyl N-butylcarbamate

C11H21NO2 — CID 54380894

IUPACcyclohexyl N-butylcarbamate
SMILESCCCCNC(=O)OC1CCCCC1
InChIInChI=1S/C11H21NO2/c1-2-3-9-12-11(13)14-10-7-5-4-6-8-10/h10H,2-9H2,1H3,(H,12,13)
InChIKeyIWCQJGHATXIZCR-UHFFFAOYSA-N
MW199.29 g/mol
LogP2.85
Rot. Bonds4

About cyclohexyl N-butylcarbamate

cyclohexyl N-butylcarbamate (PubChem CID 54380894) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is cyclohexyl N-butylcarbamate.

Molecular Properties

Compound Namecyclohexyl N-butylcarbamate
PubChem CID54380894
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Namecyclohexyl N-butylcarbamate
SMILESCCCCNC(=O)OC1CCCCC1
InChIInChI=1S/C11H21NO2/c1-2-3-9-12-11(13)14-10-7-5-4-6-8-10/h10H,2-9H2,1H3,(H,12,13)
InChIKeyIWCQJGHATXIZCR-UHFFFAOYSA-N
XLogP2.85
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl N-butylcarbamate?
The IUPAC name of cyclohexyl N-butylcarbamate (CID 54380894) is cyclohexyl N-butylcarbamate.
What is the SMILES notation for cyclohexyl N-butylcarbamate?
The canonical SMILES for cyclohexyl N-butylcarbamate is CCCCNC(=O)OC1CCCCC1.
What is the InChIKey of cyclohexyl N-butylcarbamate?
The InChIKey is IWCQJGHATXIZCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-2-3-9-12-11(13)14-10-7-5-4-6-8-10/h10H,2-9H2,1H3,(H,12,13).
What are the key properties of cyclohexyl N-butylcarbamate?
cyclohexyl N-butylcarbamate has a molecular weight of 199.29 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl N-butylcarbamate is sourced from PubChem (CID 54380894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).