2-bromoethyl N-cyclohexylcarbamate

C9H16BrNO2 — CID 112683003

IUPAC2-bromoethyl N-cyclohexylcarbamate
SMILESO=C(NC1CCCCC1)OCCBr
InChIInChI=1S/C9H16BrNO2/c10-6-7-13-9(12)11-8-4-2-1-3-5-8/h8H,1-7H2,(H,11,12)
InChIKeyDEMAHMRINTYVFD-UHFFFAOYSA-N
MW250.14 g/mol
LogP2.44
Rot. Bonds3

About 2-bromoethyl N-cyclohexylcarbamate

2-bromoethyl N-cyclohexylcarbamate (PubChem CID 112683003) has the molecular formula C9H16BrNO2 and a molecular weight of 250.14 g/mol. Its IUPAC name is 2-bromoethyl N-cyclohexylcarbamate.

Molecular Properties

Compound Name2-bromoethyl N-cyclohexylcarbamate
PubChem CID112683003
Molecular FormulaC9H16BrNO2
Molecular Weight250.14 g/mol
Exact Mass249.04
IUPAC Name2-bromoethyl N-cyclohexylcarbamate
SMILESO=C(NC1CCCCC1)OCCBr
InChIInChI=1S/C9H16BrNO2/c10-6-7-13-9(12)11-8-4-2-1-3-5-8/h8H,1-7H2,(H,11,12)
InChIKeyDEMAHMRINTYVFD-UHFFFAOYSA-N
XLogP2.44
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.14
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-aminoethyl N-cyclohexylcarbamate;molecular hydrogen
CID 159671742
3-methylbutyl N-cyclohexylcarbamate
CID 86243713
octadecyl N-cyclohexylcarbamate
CID 70449091
octyl N-cyclohexylcarbamate
CID 141434119
3-(cyclohexylcarbamoyloxy)propane-1-sulfonic acid
CID 118371123
2-buta-1,3-dien-2-yloxyethyl N-cyclohexylcarbamate
CID 89330994
prop-2-enyl N-cyclohexylcarbamate
CID 11126927
methyl N-cyclohexadecylcarbamate
CID 131977131
1-bromopropan-2-yl N-cyclohexylcarbamate
CID 103970804
2-(dibutylamino)ethyl N-[4-(cyclohexylmethyl)cyclohexyl]carbamate
CID 71191343
cyclopentylcarbamoperoxoic acid
CID 143557914
cyclohexyl N-cyclopentylcarbamate
CID 127539095

Frequently Asked Questions

What is the IUPAC name of 2-bromoethyl N-cyclohexylcarbamate?
The IUPAC name of 2-bromoethyl N-cyclohexylcarbamate (CID 112683003) is 2-bromoethyl N-cyclohexylcarbamate.
What is the SMILES notation for 2-bromoethyl N-cyclohexylcarbamate?
The canonical SMILES for 2-bromoethyl N-cyclohexylcarbamate is O=C(NC1CCCCC1)OCCBr.
What is the InChIKey of 2-bromoethyl N-cyclohexylcarbamate?
The InChIKey is DEMAHMRINTYVFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16BrNO2/c10-6-7-13-9(12)11-8-4-2-1-3-5-8/h8H,1-7H2,(H,11,12).
What are the key properties of 2-bromoethyl N-cyclohexylcarbamate?
2-bromoethyl N-cyclohexylcarbamate has a molecular weight of 250.14 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromoethyl N-cyclohexylcarbamate is sourced from PubChem (CID 112683003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).