2-methylpropyl N,N-diethylcarbamate

C9H19NO2 — CID 13314072

IUPAC2-methylpropyl N,N-diethylcarbamate
SMILESCCN(CC)C(=O)OCC(C)C
InChIInChI=1S/C9H19NO2/c1-5-10(6-2)9(11)12-7-8(3)4/h8H,5-7H2,1-4H3
InChIKeyIRUZTBVDTVEQPU-UHFFFAOYSA-N
MW173.26 g/mol
LogP2.12
Rot. Bonds4

About 2-methylpropyl N,N-diethylcarbamate

2-methylpropyl N,N-diethylcarbamate (PubChem CID 13314072) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is 2-methylpropyl N,N-diethylcarbamate.

Molecular Properties

Compound Name2-methylpropyl N,N-diethylcarbamate
PubChem CID13314072
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name2-methylpropyl N,N-diethylcarbamate
SMILESCCN(CC)C(=O)OCC(C)C
InChIInChI=1S/C9H19NO2/c1-5-10(6-2)9(11)12-7-8(3)4/h8H,5-7H2,1-4H3
InChIKeyIRUZTBVDTVEQPU-UHFFFAOYSA-N
XLogP2.12
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Ethyl diethylcarbamate
CID 19083
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
2-Ethylbutyl diethylcarbamate
CID 13433127
Isobutylcarbamate, N,N-diisopropyl
CID 52921001
Pyrrolidine, N-isoBOC
CID 259455
2-fluoroethyl N,N-dipropylcarbamate
CID 129671671
Propan-2-yl diethylcarbamate
CID 231820
Butyl diethylcarbamate
CID 10241277
Carbamic acid, dibutyl-, butyl ester
CID 11775995

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl N,N-diethylcarbamate?
The IUPAC name of 2-methylpropyl N,N-diethylcarbamate (CID 13314072) is 2-methylpropyl N,N-diethylcarbamate.
What is the SMILES notation for 2-methylpropyl N,N-diethylcarbamate?
The canonical SMILES for 2-methylpropyl N,N-diethylcarbamate is CCN(CC)C(=O)OCC(C)C.
What is the InChIKey of 2-methylpropyl N,N-diethylcarbamate?
The InChIKey is IRUZTBVDTVEQPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-5-10(6-2)9(11)12-7-8(3)4/h8H,5-7H2,1-4H3.
What are the key properties of 2-methylpropyl N,N-diethylcarbamate?
2-methylpropyl N,N-diethylcarbamate has a molecular weight of 173.26 g/mol, XLogP of 2.12, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl N,N-diethylcarbamate is sourced from PubChem (CID 13314072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).