3-(dimethylamino)azetidine-3-carboxamide;hydrochloride

C6H14ClN3O — CID 122130720

IUPAC3-(dimethylamino)azetidine-3-carboxamide;hydrochloride
SMILESCN(C)C1(C(N)=O)CNC1.Cl
InChIInChI=1S/C6H13N3O.ClH/c1-9(2)6(5(7)10)3-8-4-6;/h8H,3-4H2,1-2H3,(H2,7,10);1H
InChIKeyCSGRWLVYSIHJBQ-UHFFFAOYSA-N
MW179.65 g/mol
LogP-1.20
Rot. Bonds2

About 3-(dimethylamino)azetidine-3-carboxamide;hydrochloride

3-(dimethylamino)azetidine-3-carboxamide;hydrochloride (PubChem CID 122130720) has the molecular formula C6H14ClN3O and a molecular weight of 179.65 g/mol. Its IUPAC name is 3-(dimethylamino)azetidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-(dimethylamino)azetidine-3-carboxamide;hydrochloride
PubChem CID122130720
Molecular FormulaC6H14ClN3O
Molecular Weight179.65 g/mol
Exact Mass179.08
IUPAC Name3-(dimethylamino)azetidine-3-carboxamide;hydrochloride
SMILESCN(C)C1(C(N)=O)CNC1.Cl
InChIInChI=1S/C6H13N3O.ClH/c1-9(2)6(5(7)10)3-8-4-6;/h8H,3-4H2,1-2H3,(H2,7,10);1H
InChIKeyCSGRWLVYSIHJBQ-UHFFFAOYSA-N
XLogP-1.20
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.65
LogP ≤ 5-1.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)azetidine-3-carboxamide;hydrochloride?
The IUPAC name of 3-(dimethylamino)azetidine-3-carboxamide;hydrochloride (CID 122130720) is 3-(dimethylamino)azetidine-3-carboxamide;hydrochloride.
What is the SMILES notation for 3-(dimethylamino)azetidine-3-carboxamide;hydrochloride?
The canonical SMILES for 3-(dimethylamino)azetidine-3-carboxamide;hydrochloride is CN(C)C1(C(N)=O)CNC1.Cl.
What is the InChIKey of 3-(dimethylamino)azetidine-3-carboxamide;hydrochloride?
The InChIKey is CSGRWLVYSIHJBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3O.ClH/c1-9(2)6(5(7)10)3-8-4-6;/h8H,3-4H2,1-2H3,(H2,7,10);1H.
What are the key properties of 3-(dimethylamino)azetidine-3-carboxamide;hydrochloride?
3-(dimethylamino)azetidine-3-carboxamide;hydrochloride has a molecular weight of 179.65 g/mol, XLogP of -1.20, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)azetidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 122130720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).