methyl N-[2-(dimethylamino)ethyl]-N-propylcarbamate

C9H20N2O2 — CID 115612493

IUPACmethyl N-[2-(dimethylamino)ethyl]-N-propylcarbamate
SMILESCCCN(CCN(C)C)C(=O)OC
InChIInChI=1S/C9H20N2O2/c1-5-6-11(9(12)13-4)8-7-10(2)3/h5-8H2,1-4H3
InChIKeyYKUBUOQPBDIIFV-UHFFFAOYSA-N
MW188.27 g/mol
LogP1.03
Rot. Bonds5

About methyl N-[2-(dimethylamino)ethyl]-N-propylcarbamate

methyl N-[2-(dimethylamino)ethyl]-N-propylcarbamate (PubChem CID 115612493) has the molecular formula C9H20N2O2 and a molecular weight of 188.27 g/mol. Its IUPAC name is methyl N-[2-(dimethylamino)ethyl]-N-propylcarbamate.

Molecular Properties

Compound Namemethyl N-[2-(dimethylamino)ethyl]-N-propylcarbamate
PubChem CID115612493
Molecular FormulaC9H20N2O2
Molecular Weight188.27 g/mol
Exact Mass188.15
IUPAC Namemethyl N-[2-(dimethylamino)ethyl]-N-propylcarbamate
SMILESCCCN(CCN(C)C)C(=O)OC
InChIInChI=1S/C9H20N2O2/c1-5-6-11(9(12)13-4)8-7-10(2)3/h5-8H2,1-4H3
InChIKeyYKUBUOQPBDIIFV-UHFFFAOYSA-N
XLogP1.03
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl N-(2-cyclopropylethyl)-N-propylcarbamate
CID 147134971
methyl N-[2-[acetyl(methyl)amino]ethyl]-N-ethylcarbamate
CID 143677882
methyl N-(cyclopropylmethyl)-N-propylcarbamate
CID 115575376
ethyl N-[2-(dimethylamino)ethyl]-N-ethylcarbamate
CID 143172313
1-[2-(dimethylamino)ethyl]-1-propyl-3-(2,2,2-trifluoroethyl)urea
CID 115595036
3-chloro-N-[2-(dimethylamino)ethyl]-2-methyl-N-propylpropanamide
CID 62727054
N-[2-(dimethylamino)ethyl]-5-hydroxy-N-propylpentanamide
CID 79209171
3-cyclohexyl-1-[2-(dimethylamino)ethyl]-1-propylurea
CID 113231661
3-[[2-(dimethylamino)ethyl-propylcarbamoyl]amino]-2-hydroxypropanoic acid
CID 66165725
3-[[2-(dimethylamino)ethyl-propylcarbamoyl]amino]-2-methylpropanoic acid
CID 62670484
5-bromo-N-[2-(dimethylamino)ethyl]-N-propylpentanamide
CID 107909937
1-[2-(dimethylamino)ethyl-propylcarbamoyl]cyclopropane-1-carboxylic acid
CID 62097169

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-(dimethylamino)ethyl]-N-propylcarbamate?
The IUPAC name of methyl N-[2-(dimethylamino)ethyl]-N-propylcarbamate (CID 115612493) is methyl N-[2-(dimethylamino)ethyl]-N-propylcarbamate.
What is the SMILES notation for methyl N-[2-(dimethylamino)ethyl]-N-propylcarbamate?
The canonical SMILES for methyl N-[2-(dimethylamino)ethyl]-N-propylcarbamate is CCCN(CCN(C)C)C(=O)OC.
What is the InChIKey of methyl N-[2-(dimethylamino)ethyl]-N-propylcarbamate?
The InChIKey is YKUBUOQPBDIIFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2/c1-5-6-11(9(12)13-4)8-7-10(2)3/h5-8H2,1-4H3.
What are the key properties of methyl N-[2-(dimethylamino)ethyl]-N-propylcarbamate?
methyl N-[2-(dimethylamino)ethyl]-N-propylcarbamate has a molecular weight of 188.27 g/mol, XLogP of 1.03, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-(dimethylamino)ethyl]-N-propylcarbamate is sourced from PubChem (CID 115612493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).