2-(azetidin-3-ylidene)-N-[3-[methyl(propan-2-yl)amino]propyl]propanamide

C13H25N3O — CID 106047676

IUPAC2-(azetidin-3-ylidene)-N-[3-[methyl(propan-2-yl)amino]propyl]propanamide
SMILESCC(C(=O)NCCCN(C)C(C)C)=C1CNC1
InChIInChI=1S/C13H25N3O/c1-10(2)16(4)7-5-6-15-13(17)11(3)12-8-14-9-12/h10,14H,5-9H2,1-4H3,(H,15,17)
InChIKeyMQPDLUBSGATSDE-UHFFFAOYSA-N
MW239.36 g/mol
LogP0.75
Rot. Bonds6

About 2-(azetidin-3-ylidene)-N-[3-[methyl(propan-2-yl)amino]propyl]propanamide

2-(azetidin-3-ylidene)-N-[3-[methyl(propan-2-yl)amino]propyl]propanamide (PubChem CID 106047676) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 2-(azetidin-3-ylidene)-N-[3-[methyl(propan-2-yl)amino]propyl]propanamide.

Molecular Properties

Compound Name2-(azetidin-3-ylidene)-N-[3-[methyl(propan-2-yl)amino]propyl]propanamide
PubChem CID106047676
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name2-(azetidin-3-ylidene)-N-[3-[methyl(propan-2-yl)amino]propyl]propanamide
SMILESCC(C(=O)NCCCN(C)C(C)C)=C1CNC1
InChIInChI=1S/C13H25N3O/c1-10(2)16(4)7-5-6-15-13(17)11(3)12-8-14-9-12/h10,14H,5-9H2,1-4H3,(H,15,17)
InChIKeyMQPDLUBSGATSDE-UHFFFAOYSA-N
XLogP0.75
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-[3-[methyl(propan-2-yl)amino]propyl]propanamide?
The IUPAC name of 2-(azetidin-3-ylidene)-N-[3-[methyl(propan-2-yl)amino]propyl]propanamide (CID 106047676) is 2-(azetidin-3-ylidene)-N-[3-[methyl(propan-2-yl)amino]propyl]propanamide.
What is the SMILES notation for 2-(azetidin-3-ylidene)-N-[3-[methyl(propan-2-yl)amino]propyl]propanamide?
The canonical SMILES for 2-(azetidin-3-ylidene)-N-[3-[methyl(propan-2-yl)amino]propyl]propanamide is CC(C(=O)NCCCN(C)C(C)C)=C1CNC1.
What is the InChIKey of 2-(azetidin-3-ylidene)-N-[3-[methyl(propan-2-yl)amino]propyl]propanamide?
The InChIKey is MQPDLUBSGATSDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-10(2)16(4)7-5-6-15-13(17)11(3)12-8-14-9-12/h10,14H,5-9H2,1-4H3,(H,15,17).
What are the key properties of 2-(azetidin-3-ylidene)-N-[3-[methyl(propan-2-yl)amino]propyl]propanamide?
2-(azetidin-3-ylidene)-N-[3-[methyl(propan-2-yl)amino]propyl]propanamide has a molecular weight of 239.36 g/mol, XLogP of 0.75, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-ylidene)-N-[3-[methyl(propan-2-yl)amino]propyl]propanamide is sourced from PubChem (CID 106047676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).