methyl N-(2-aminoethyl)-N-methylcarbamate

C5H12N2O2 — CID 58684648

IUPACmethyl N-(2-aminoethyl)-N-methylcarbamate
SMILESCOC(=O)N(C)CCN
InChIInChI=1S/C5H12N2O2/c1-7(4-3-6)5(8)9-2/h3-4,6H2,1-2H3
InChIKeyUKBBYDKNMUGVKA-UHFFFAOYSA-N
MW132.16 g/mol
LogP-0.36
Rot. Bonds2

About methyl N-(2-aminoethyl)-N-methylcarbamate

methyl N-(2-aminoethyl)-N-methylcarbamate (PubChem CID 58684648) has the molecular formula C5H12N2O2 and a molecular weight of 132.16 g/mol. Its IUPAC name is methyl N-(2-aminoethyl)-N-methylcarbamate.

Molecular Properties

Compound Namemethyl N-(2-aminoethyl)-N-methylcarbamate
PubChem CID58684648
Molecular FormulaC5H12N2O2
Molecular Weight132.16 g/mol
Exact Mass132.09
IUPAC Namemethyl N-(2-aminoethyl)-N-methylcarbamate
SMILESCOC(=O)N(C)CCN
InChIInChI=1S/C5H12N2O2/c1-7(4-3-6)5(8)9-2/h3-4,6H2,1-2H3
InChIKeyUKBBYDKNMUGVKA-UHFFFAOYSA-N
XLogP-0.36
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.16
LogP ≤ 5-0.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl N-(2-hydroxyethyl)-N-methylcarbamate
CID 568300
methyl 3-[2-aminoethyl(methyl)amino]-3-oxopropanoate
CID 117126525
(4-methoxyphenyl) N-(2-aminoethyl)-N-methylcarbamate;hydrochloride
CID 45259199
methyl N-(3-hydroxypropyl)-N-methylcarbamate
CID 119098587
(2-methoxy-4-methylphenyl) N-(2-aminoethyl)-N-methylcarbamate
CID 83824605
(2-chlorophenyl) N-(2-aminoethyl)-N-methylcarbamate
CID 83823724
methyl N-hexyl-N-methylcarbamate
CID 14923771
N-(2-aminoethyl)-N-methylcarbamoyl iodide
CID 147395077
methyl N-(chloromethyl)-N-methylcarbamate
CID 12631503
cyclohexyl N-(2-aminoethyl)-N-methylcarbamate
CID 58684400
ethyl N-(2-aminoethyl)-N-methylcarbamate;2,2,2-trifluoroacetic acid
CID 87130668
methyl N-(3-acetamidopropyl)-N-methylcarbamate
CID 89255429

Frequently Asked Questions

What is the IUPAC name of methyl N-(2-aminoethyl)-N-methylcarbamate?
The IUPAC name of methyl N-(2-aminoethyl)-N-methylcarbamate (CID 58684648) is methyl N-(2-aminoethyl)-N-methylcarbamate.
What is the SMILES notation for methyl N-(2-aminoethyl)-N-methylcarbamate?
The canonical SMILES for methyl N-(2-aminoethyl)-N-methylcarbamate is COC(=O)N(C)CCN.
What is the InChIKey of methyl N-(2-aminoethyl)-N-methylcarbamate?
The InChIKey is UKBBYDKNMUGVKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O2/c1-7(4-3-6)5(8)9-2/h3-4,6H2,1-2H3.
What are the key properties of methyl N-(2-aminoethyl)-N-methylcarbamate?
methyl N-(2-aminoethyl)-N-methylcarbamate has a molecular weight of 132.16 g/mol, XLogP of -0.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(2-aminoethyl)-N-methylcarbamate is sourced from PubChem (CID 58684648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).