1,5-bis(propylideneamino)pentan-3-one

C11H20N2O — CID 56989182

IUPAC1,5-bis(propylideneamino)pentan-3-one
SMILESCC/C=N/CCC(=O)CC/N=C/CC
InChIInChI=1S/C11H20N2O/c1-3-7-12-9-5-11(14)6-10-13-8-4-2/h7-8H,3-6,9-10H2,1-2H3/b12-7+,13-8+
InChIKeyBSLCMUGORAMHMG-INOXDZRUSA-N
MW196.29 g/mol
LogP2.30
Rot. Bonds8

About 1,5-bis(propylideneamino)pentan-3-one

1,5-bis(propylideneamino)pentan-3-one (PubChem CID 56989182) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 1,5-bis(propylideneamino)pentan-3-one.

Molecular Properties

Compound Name1,5-bis(propylideneamino)pentan-3-one
PubChem CID56989182
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name1,5-bis(propylideneamino)pentan-3-one
SMILESCC/C=N/CCC(=O)CC/N=C/CC
InChIInChI=1S/C11H20N2O/c1-3-7-12-9-5-11(14)6-10-13-8-4-2/h7-8H,3-6,9-10H2,1-2H3/b12-7+,13-8+
InChIKeyBSLCMUGORAMHMG-INOXDZRUSA-N
XLogP2.30
TPSA41.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1,5-bis(propylideneamino)pentan-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,5-bis(propylideneamino)pentan-3-one?
The IUPAC name of 1,5-bis(propylideneamino)pentan-3-one (CID 56989182) is 1,5-bis(propylideneamino)pentan-3-one.
What is the SMILES notation for 1,5-bis(propylideneamino)pentan-3-one?
The canonical SMILES for 1,5-bis(propylideneamino)pentan-3-one is CC/C=N/CCC(=O)CC/N=C/CC.
What is the InChIKey of 1,5-bis(propylideneamino)pentan-3-one?
The InChIKey is BSLCMUGORAMHMG-INOXDZRUSA-N. The full InChI is InChI=1S/C11H20N2O/c1-3-7-12-9-5-11(14)6-10-13-8-4-2/h7-8H,3-6,9-10H2,1-2H3/b12-7+,13-8+.
What are the key properties of 1,5-bis(propylideneamino)pentan-3-one?
1,5-bis(propylideneamino)pentan-3-one has a molecular weight of 196.29 g/mol, XLogP of 2.30, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-bis(propylideneamino)pentan-3-one is sourced from PubChem (CID 56989182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).