methyl N,N-dibutylcarbamate

C10H21NO2 — CID 3590545

IUPACmethyl N,N-dibutylcarbamate
SMILESCCCCN(CCCC)C(=O)OC
InChIInChI=1S/C10H21NO2/c1-4-6-8-11(9-7-5-2)10(12)13-3/h4-9H2,1-3H3
InChIKeyUMAUECMGEMYKBW-UHFFFAOYSA-N
MW187.28 g/mol
LogP2.65
Rot. Bonds6

About methyl N,N-dibutylcarbamate

methyl N,N-dibutylcarbamate (PubChem CID 3590545) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is methyl N,N-dibutylcarbamate.

Molecular Properties

Compound Namemethyl N,N-dibutylcarbamate
PubChem CID3590545
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Namemethyl N,N-dibutylcarbamate
SMILESCCCCN(CCCC)C(=O)OC
InChIInChI=1S/C10H21NO2/c1-4-6-8-11(9-7-5-2)10(12)13-3/h4-9H2,1-3H3
InChIKeyUMAUECMGEMYKBW-UHFFFAOYSA-N
XLogP2.65
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methyl N,N-dibutylcarbamate?
The IUPAC name of methyl N,N-dibutylcarbamate (CID 3590545) is methyl N,N-dibutylcarbamate.
What is the SMILES notation for methyl N,N-dibutylcarbamate?
The canonical SMILES for methyl N,N-dibutylcarbamate is CCCCN(CCCC)C(=O)OC.
What is the InChIKey of methyl N,N-dibutylcarbamate?
The InChIKey is UMAUECMGEMYKBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-4-6-8-11(9-7-5-2)10(12)13-3/h4-9H2,1-3H3.
What are the key properties of methyl N,N-dibutylcarbamate?
methyl N,N-dibutylcarbamate has a molecular weight of 187.28 g/mol, XLogP of 2.65, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N,N-dibutylcarbamate is sourced from PubChem (CID 3590545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).