2-(azetidin-3-ylidene)-N-[1-(dimethylamino)propan-2-yl]-N-ethylpropanamide

C13H25N3O — CID 103188657

IUPAC2-(azetidin-3-ylidene)-N-[1-(dimethylamino)propan-2-yl]-N-ethylpropanamide
SMILESCCN(C(=O)C(C)=C1CNC1)C(C)CN(C)C
InChIInChI=1S/C13H25N3O/c1-6-16(10(2)9-15(4)5)13(17)11(3)12-7-14-8-12/h10,14H,6-9H2,1-5H3
InChIKeyRPJMHBXBVIJEJS-UHFFFAOYSA-N
MW239.36 g/mol
LogP0.70
Rot. Bonds5

About 2-(azetidin-3-ylidene)-N-[1-(dimethylamino)propan-2-yl]-N-ethylpropanamide

2-(azetidin-3-ylidene)-N-[1-(dimethylamino)propan-2-yl]-N-ethylpropanamide (PubChem CID 103188657) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 2-(azetidin-3-ylidene)-N-[1-(dimethylamino)propan-2-yl]-N-ethylpropanamide.

Molecular Properties

Compound Name2-(azetidin-3-ylidene)-N-[1-(dimethylamino)propan-2-yl]-N-ethylpropanamide
PubChem CID103188657
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name2-(azetidin-3-ylidene)-N-[1-(dimethylamino)propan-2-yl]-N-ethylpropanamide
SMILESCCN(C(=O)C(C)=C1CNC1)C(C)CN(C)C
InChIInChI=1S/C13H25N3O/c1-6-16(10(2)9-15(4)5)13(17)11(3)12-7-14-8-12/h10,14H,6-9H2,1-5H3
InChIKeyRPJMHBXBVIJEJS-UHFFFAOYSA-N
XLogP0.70
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-ylidene)-N-[1-(dimethylamino)propan-2-yl]-N-ethylpropanamide?
The IUPAC name of 2-(azetidin-3-ylidene)-N-[1-(dimethylamino)propan-2-yl]-N-ethylpropanamide (CID 103188657) is 2-(azetidin-3-ylidene)-N-[1-(dimethylamino)propan-2-yl]-N-ethylpropanamide.
What is the SMILES notation for 2-(azetidin-3-ylidene)-N-[1-(dimethylamino)propan-2-yl]-N-ethylpropanamide?
The canonical SMILES for 2-(azetidin-3-ylidene)-N-[1-(dimethylamino)propan-2-yl]-N-ethylpropanamide is CCN(C(=O)C(C)=C1CNC1)C(C)CN(C)C.
What is the InChIKey of 2-(azetidin-3-ylidene)-N-[1-(dimethylamino)propan-2-yl]-N-ethylpropanamide?
The InChIKey is RPJMHBXBVIJEJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-6-16(10(2)9-15(4)5)13(17)11(3)12-7-14-8-12/h10,14H,6-9H2,1-5H3.
What are the key properties of 2-(azetidin-3-ylidene)-N-[1-(dimethylamino)propan-2-yl]-N-ethylpropanamide?
2-(azetidin-3-ylidene)-N-[1-(dimethylamino)propan-2-yl]-N-ethylpropanamide has a molecular weight of 239.36 g/mol, XLogP of 0.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-ylidene)-N-[1-(dimethylamino)propan-2-yl]-N-ethylpropanamide is sourced from PubChem (CID 103188657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).