2-(dimethylamino)ethyl carbamate;hydrochloride

C5H13ClN2O2 — CID 57493546

IUPAC2-(dimethylamino)ethyl carbamate;hydrochloride
SMILESCN(C)CCOC(N)=O.Cl
InChIInChI=1S/C5H12N2O2.ClH/c1-7(2)3-4-9-5(6)8;/h3-4H2,1-2H3,(H2,6,8);1H
InChIKeyPOHVKKYDZVLISU-UHFFFAOYSA-N
MW168.62 g/mol
LogP0.07
Rot. Bonds3

About 2-(dimethylamino)ethyl carbamate;hydrochloride

2-(dimethylamino)ethyl carbamate;hydrochloride (PubChem CID 57493546) has the molecular formula C5H13ClN2O2 and a molecular weight of 168.62 g/mol. Its IUPAC name is 2-(dimethylamino)ethyl carbamate;hydrochloride.

Molecular Properties

Compound Name2-(dimethylamino)ethyl carbamate;hydrochloride
PubChem CID57493546
Molecular FormulaC5H13ClN2O2
Molecular Weight168.62 g/mol
Exact Mass168.07
IUPAC Name2-(dimethylamino)ethyl carbamate;hydrochloride
SMILESCN(C)CCOC(N)=O.Cl
InChIInChI=1S/C5H12N2O2.ClH/c1-7(2)3-4-9-5(6)8;/h3-4H2,1-2H3,(H2,6,8);1H
InChIKeyPOHVKKYDZVLISU-UHFFFAOYSA-N
XLogP0.07
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.62
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)ethyl carbamate;hydrochloride?
The IUPAC name of 2-(dimethylamino)ethyl carbamate;hydrochloride (CID 57493546) is 2-(dimethylamino)ethyl carbamate;hydrochloride.
What is the SMILES notation for 2-(dimethylamino)ethyl carbamate;hydrochloride?
The canonical SMILES for 2-(dimethylamino)ethyl carbamate;hydrochloride is CN(C)CCOC(N)=O.Cl.
What is the InChIKey of 2-(dimethylamino)ethyl carbamate;hydrochloride?
The InChIKey is POHVKKYDZVLISU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O2.ClH/c1-7(2)3-4-9-5(6)8;/h3-4H2,1-2H3,(H2,6,8);1H.
What are the key properties of 2-(dimethylamino)ethyl carbamate;hydrochloride?
2-(dimethylamino)ethyl carbamate;hydrochloride has a molecular weight of 168.62 g/mol, XLogP of 0.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)ethyl carbamate;hydrochloride is sourced from PubChem (CID 57493546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).