propyl N,N-dimethylcarbamate

C6H13NO2 — CID 13244991

IUPACpropyl N,N-dimethylcarbamate
SMILESCCCOC(=O)N(C)C
InChIInChI=1S/C6H13NO2/c1-4-5-9-6(8)7(2)3/h4-5H2,1-3H3
InChIKeyZXQJLRQAYKMYDN-UHFFFAOYSA-N
MW131.18 g/mol
LogP1.09
Rot. Bonds2

About propyl N,N-dimethylcarbamate

propyl N,N-dimethylcarbamate (PubChem CID 13244991) has the molecular formula C6H13NO2 and a molecular weight of 131.18 g/mol. Its IUPAC name is propyl N,N-dimethylcarbamate.

Molecular Properties

Compound Namepropyl N,N-dimethylcarbamate
PubChem CID13244991
Molecular FormulaC6H13NO2
Molecular Weight131.18 g/mol
Exact Mass131.09
IUPAC Namepropyl N,N-dimethylcarbamate
SMILESCCCOC(=O)N(C)C
InChIInChI=1S/C6H13NO2/c1-4-5-9-6(8)7(2)3/h4-5H2,1-3H3
InChIKeyZXQJLRQAYKMYDN-UHFFFAOYSA-N
XLogP1.09
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.18
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze propyl N,N-dimethylcarbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Carbamic acid, N,N-dimethyl-, ethyl ester
CID 12709
Ethyl N-methoxy-N-methylcarbamate
CID 533715
Isopropyl dimethylcarbamate
CID 95685
Carbamic acid, cyanomethyl-, ethyl ester
CID 109009
2-Fluoroethyl N,N-dimethylcarbamate
CID 89344688
2-Methylpropyl dimethylcarbamate
CID 13433124
Carbamic acid, dimethyl-, butyl ester
CID 4254211
Carbamic acid, ethylmethyl-, ethyl ester
CID 20062878
Carbamic acid, N,N-dimethyl-, 2-methoxyethyl ester
CID 3084950
Ethyl N-(chloromethyl)-N-methylcarbamate
CID 15790124
Dimethylol propyl carbamate
CID 53998168
Methylpropylurethan
CID 62048192

Frequently Asked Questions

What is the IUPAC name of propyl N,N-dimethylcarbamate?
The IUPAC name of propyl N,N-dimethylcarbamate (CID 13244991) is propyl N,N-dimethylcarbamate.
What is the SMILES notation for propyl N,N-dimethylcarbamate?
The canonical SMILES for propyl N,N-dimethylcarbamate is CCCOC(=O)N(C)C.
What is the InChIKey of propyl N,N-dimethylcarbamate?
The InChIKey is ZXQJLRQAYKMYDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2/c1-4-5-9-6(8)7(2)3/h4-5H2,1-3H3.
What are the key properties of propyl N,N-dimethylcarbamate?
propyl N,N-dimethylcarbamate has a molecular weight of 131.18 g/mol, XLogP of 1.09, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propyl N,N-dimethylcarbamate is sourced from PubChem (CID 13244991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).