2-methylpropyl N,N-dipropylcarbamate

C11H23NO2 — CID 59217983

IUPAC2-methylpropyl N,N-dipropylcarbamate
SMILESCCCN(CCC)C(=O)OCC(C)C
InChIInChI=1S/C11H23NO2/c1-5-7-12(8-6-2)11(13)14-9-10(3)4/h10H,5-9H2,1-4H3
InChIKeyGXJCJFIMKNFAQG-UHFFFAOYSA-N
MW201.31 g/mol
LogP2.90
Rot. Bonds6

About 2-methylpropyl N,N-dipropylcarbamate

2-methylpropyl N,N-dipropylcarbamate (PubChem CID 59217983) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is 2-methylpropyl N,N-dipropylcarbamate.

Molecular Properties

Compound Name2-methylpropyl N,N-dipropylcarbamate
PubChem CID59217983
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name2-methylpropyl N,N-dipropylcarbamate
SMILESCCCN(CCC)C(=O)OCC(C)C
InChIInChI=1S/C11H23NO2/c1-5-7-12(8-6-2)11(13)14-9-10(3)4/h10H,5-9H2,1-4H3
InChIKeyGXJCJFIMKNFAQG-UHFFFAOYSA-N
XLogP2.90
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Ethyl-N,N-di-n-butyl carbamate
CID 16674
Carbamic acid, dipropyl-, ethyl ester
CID 23416
Ethyl diisopropylcarbamate
CID 30213
US10214537, Example 157
CID 58799736
Isobutylcarbamate, N,N-diisopropyl
CID 52921001
Pyrrolidine, N-isoBOC
CID 259455
2-fluoroethyl N,N-dipropylcarbamate
CID 129671671
Propan-2-yl diethylcarbamate
CID 231820
Carbamic acid, dihexyl-, ethyl ester
CID 4231384
Butyl diethylcarbamate
CID 10241277
tert-butyl N-methyl-N-(2-methylpropyl)carbamate
CID 11095337
Carbamic acid, dibutyl-, butyl ester
CID 11775995

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl N,N-dipropylcarbamate?
The IUPAC name of 2-methylpropyl N,N-dipropylcarbamate (CID 59217983) is 2-methylpropyl N,N-dipropylcarbamate.
What is the SMILES notation for 2-methylpropyl N,N-dipropylcarbamate?
The canonical SMILES for 2-methylpropyl N,N-dipropylcarbamate is CCCN(CCC)C(=O)OCC(C)C.
What is the InChIKey of 2-methylpropyl N,N-dipropylcarbamate?
The InChIKey is GXJCJFIMKNFAQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-5-7-12(8-6-2)11(13)14-9-10(3)4/h10H,5-9H2,1-4H3.
What are the key properties of 2-methylpropyl N,N-dipropylcarbamate?
2-methylpropyl N,N-dipropylcarbamate has a molecular weight of 201.31 g/mol, XLogP of 2.90, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl N,N-dipropylcarbamate is sourced from PubChem (CID 59217983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).