2-(azetidin-3-yl)-N-[3-(dimethylamino)propyl]-N-ethylacetamide

C12H25N3O — CID 102992831

IUPAC2-(azetidin-3-yl)-N-[3-(dimethylamino)propyl]-N-ethylacetamide
SMILESCCN(CCCN(C)C)C(=O)CC1CNC1
InChIInChI=1S/C12H25N3O/c1-4-15(7-5-6-14(2)3)12(16)8-11-9-13-10-11/h11,13H,4-10H2,1-3H3
InChIKeyYQMSNEXEULMHKN-UHFFFAOYSA-N
MW227.35 g/mol
LogP0.40
Rot. Bonds7

About 2-(azetidin-3-yl)-N-[3-(dimethylamino)propyl]-N-ethylacetamide

2-(azetidin-3-yl)-N-[3-(dimethylamino)propyl]-N-ethylacetamide (PubChem CID 102992831) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-N-[3-(dimethylamino)propyl]-N-ethylacetamide.

Molecular Properties

Compound Name2-(azetidin-3-yl)-N-[3-(dimethylamino)propyl]-N-ethylacetamide
PubChem CID102992831
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name2-(azetidin-3-yl)-N-[3-(dimethylamino)propyl]-N-ethylacetamide
SMILESCCN(CCCN(C)C)C(=O)CC1CNC1
InChIInChI=1S/C12H25N3O/c1-4-15(7-5-6-14(2)3)12(16)8-11-9-13-10-11/h11,13H,4-10H2,1-3H3
InChIKeyYQMSNEXEULMHKN-UHFFFAOYSA-N
XLogP0.40
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-N-[3-(dimethylamino)propyl]-N-ethylacetamide?
The IUPAC name of 2-(azetidin-3-yl)-N-[3-(dimethylamino)propyl]-N-ethylacetamide (CID 102992831) is 2-(azetidin-3-yl)-N-[3-(dimethylamino)propyl]-N-ethylacetamide.
What is the SMILES notation for 2-(azetidin-3-yl)-N-[3-(dimethylamino)propyl]-N-ethylacetamide?
The canonical SMILES for 2-(azetidin-3-yl)-N-[3-(dimethylamino)propyl]-N-ethylacetamide is CCN(CCCN(C)C)C(=O)CC1CNC1.
What is the InChIKey of 2-(azetidin-3-yl)-N-[3-(dimethylamino)propyl]-N-ethylacetamide?
The InChIKey is YQMSNEXEULMHKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-4-15(7-5-6-14(2)3)12(16)8-11-9-13-10-11/h11,13H,4-10H2,1-3H3.
What are the key properties of 2-(azetidin-3-yl)-N-[3-(dimethylamino)propyl]-N-ethylacetamide?
2-(azetidin-3-yl)-N-[3-(dimethylamino)propyl]-N-ethylacetamide has a molecular weight of 227.35 g/mol, XLogP of 0.40, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yl)-N-[3-(dimethylamino)propyl]-N-ethylacetamide is sourced from PubChem (CID 102992831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).