butyl N,N-diethylcarbamate

C9H19NO2 — CID 10241277

IUPACbutyl N,N-diethylcarbamate
SMILESCCCCOC(=O)N(CC)CC
InChIInChI=1S/C9H19NO2/c1-4-7-8-12-9(11)10(5-2)6-3/h4-8H2,1-3H3
InChIKeyMUABLCDNKPGCGE-UHFFFAOYSA-N
MW173.26 g/mol
LogP2.26
Rot. Bonds5

About butyl N,N-diethylcarbamate

butyl N,N-diethylcarbamate (PubChem CID 10241277) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is butyl N,N-diethylcarbamate.

Molecular Properties

Compound Namebutyl N,N-diethylcarbamate
PubChem CID10241277
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Namebutyl N,N-diethylcarbamate
SMILESCCCCOC(=O)N(CC)CC
InChIInChI=1S/C9H19NO2/c1-4-7-8-12-9(11)10(5-2)6-3/h4-8H2,1-3H3
InChIKeyMUABLCDNKPGCGE-UHFFFAOYSA-N
XLogP2.26
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 52.26
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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Frequently Asked Questions

What is the IUPAC name of butyl N,N-diethylcarbamate?
The IUPAC name of butyl N,N-diethylcarbamate (CID 10241277) is butyl N,N-diethylcarbamate.
What is the SMILES notation for butyl N,N-diethylcarbamate?
The canonical SMILES for butyl N,N-diethylcarbamate is CCCCOC(=O)N(CC)CC.
What is the InChIKey of butyl N,N-diethylcarbamate?
The InChIKey is MUABLCDNKPGCGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-4-7-8-12-9(11)10(5-2)6-3/h4-8H2,1-3H3.
What are the key properties of butyl N,N-diethylcarbamate?
butyl N,N-diethylcarbamate has a molecular weight of 173.26 g/mol, XLogP of 2.26, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butyl N,N-diethylcarbamate is sourced from PubChem (CID 10241277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).