4-(2-aminoethylimino)pentan-2-one

C7H14N2O — CID 15433381

IUPAC4-(2-aminoethylimino)pentan-2-one
SMILESCC(=O)C/C(C)=N/CCN
InChIInChI=1S/C7H14N2O/c1-6(5-7(2)10)9-4-3-8/h3-5,8H2,1-2H3/b9-6+
InChIKeyPXCJXKUIOPLBAA-RMKNXTFCSA-N
MW142.20 g/mol
LogP0.39
Rot. Bonds4

About 4-(2-aminoethylimino)pentan-2-one

4-(2-aminoethylimino)pentan-2-one (PubChem CID 15433381) has the molecular formula C7H14N2O and a molecular weight of 142.20 g/mol. Its IUPAC name is 4-(2-aminoethylimino)pentan-2-one.

Molecular Properties

Compound Name4-(2-aminoethylimino)pentan-2-one
PubChem CID15433381
Molecular FormulaC7H14N2O
Molecular Weight142.20 g/mol
Exact Mass142.11
IUPAC Name4-(2-aminoethylimino)pentan-2-one
SMILESCC(=O)C/C(C)=N/CCN
InChIInChI=1S/C7H14N2O/c1-6(5-7(2)10)9-4-3-8/h3-5,8H2,1-2H3/b9-6+
InChIKeyPXCJXKUIOPLBAA-RMKNXTFCSA-N
XLogP0.39
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethylimino)pentan-2-one?
The IUPAC name of 4-(2-aminoethylimino)pentan-2-one (CID 15433381) is 4-(2-aminoethylimino)pentan-2-one.
What is the SMILES notation for 4-(2-aminoethylimino)pentan-2-one?
The canonical SMILES for 4-(2-aminoethylimino)pentan-2-one is CC(=O)C/C(C)=N/CCN.
What is the InChIKey of 4-(2-aminoethylimino)pentan-2-one?
The InChIKey is PXCJXKUIOPLBAA-RMKNXTFCSA-N. The full InChI is InChI=1S/C7H14N2O/c1-6(5-7(2)10)9-4-3-8/h3-5,8H2,1-2H3/b9-6+.
What are the key properties of 4-(2-aminoethylimino)pentan-2-one?
4-(2-aminoethylimino)pentan-2-one has a molecular weight of 142.20 g/mol, XLogP of 0.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethylimino)pentan-2-one is sourced from PubChem (CID 15433381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).