ethyl N,N-dihexylcarbamate

C15H31NO2 — CID 4231384

IUPACethyl N,N-dihexylcarbamate
SMILESCCCCCCN(CCCCCC)C(=O)OCC
InChIInChI=1S/C15H31NO2/c1-4-7-9-11-13-16(15(17)18-6-3)14-12-10-8-5-2/h4-14H2,1-3H3
InChIKeyGVNXQWPJHHYEPC-UHFFFAOYSA-N
MW257.42 g/mol
LogP4.61
Rot. Bonds11

About ethyl N,N-dihexylcarbamate

ethyl N,N-dihexylcarbamate (PubChem CID 4231384) has the molecular formula C15H31NO2 and a molecular weight of 257.42 g/mol. Its IUPAC name is ethyl N,N-dihexylcarbamate.

Molecular Properties

Compound Nameethyl N,N-dihexylcarbamate
PubChem CID4231384
Molecular FormulaC15H31NO2
Molecular Weight257.42 g/mol
Exact Mass257.24
IUPAC Nameethyl N,N-dihexylcarbamate
SMILESCCCCCCN(CCCCCC)C(=O)OCC
InChIInChI=1S/C15H31NO2/c1-4-7-9-11-13-16(15(17)18-6-3)14-12-10-8-5-2/h4-14H2,1-3H3
InChIKeyGVNXQWPJHHYEPC-UHFFFAOYSA-N
XLogP4.61
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-Piperidinecarboxylic acid, ethyl ester
CID 21399
Ethyl-N,N-di-n-butyl carbamate
CID 16674
1H-Azepine-1-carboxylic acid, hexahydro-, ethyl ester
CID 33673
Carbamic acid, dipropyl-, ethyl ester
CID 23416
Butyl piperidine-1-carboxylate
CID 232662
1-Piperidinecarboxylic acid, isopropyl ester
CID 239243
2-fluoroethyl N,N-dipropylcarbamate
CID 129671671
Ethyl 2-methylpiperidine-1-carboxylate
CID 251479
Butyl diethylcarbamate
CID 10241277
Carbamic acid, dibutyl-, butyl ester
CID 11775995
propan-2-yl N,N-dibutylcarbamate
CID 13751145
N-butylethylurethane
CID 21523735

Frequently Asked Questions

What is the IUPAC name of ethyl N,N-dihexylcarbamate?
The IUPAC name of ethyl N,N-dihexylcarbamate (CID 4231384) is ethyl N,N-dihexylcarbamate.
What is the SMILES notation for ethyl N,N-dihexylcarbamate?
The canonical SMILES for ethyl N,N-dihexylcarbamate is CCCCCCN(CCCCCC)C(=O)OCC.
What is the InChIKey of ethyl N,N-dihexylcarbamate?
The InChIKey is GVNXQWPJHHYEPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO2/c1-4-7-9-11-13-16(15(17)18-6-3)14-12-10-8-5-2/h4-14H2,1-3H3.
What are the key properties of ethyl N,N-dihexylcarbamate?
ethyl N,N-dihexylcarbamate has a molecular weight of 257.42 g/mol, XLogP of 4.61, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N,N-dihexylcarbamate is sourced from PubChem (CID 4231384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).