1-[[(Z)-ethylideneamino]-[(E)-pent-1-enyl]amino]-3,3-dimethylbutan-2-one

C13H24N2O — CID 130281986

IUPAC1-[[(Z)-ethylideneamino]-[(E)-pent-1-enyl]amino]-3,3-dimethylbutan-2-one
SMILESC/C=N\N(/C=C/CCC)CC(=O)C(C)(C)C
InChIInChI=1S/C13H24N2O/c1-6-8-9-10-15(14-7-2)11-12(16)13(3,4)5/h7,9-10H,6,8,11H2,1-5H3/b10-9+,14-7-
InChIKeyKLLGUSRTKPKNPR-IXISGIECSA-N
MW224.35 g/mol
LogP3.22
Rot. Bonds6

About 1-[[(Z)-ethylideneamino]-[(E)-pent-1-enyl]amino]-3,3-dimethylbutan-2-one

1-[[(Z)-ethylideneamino]-[(E)-pent-1-enyl]amino]-3,3-dimethylbutan-2-one (PubChem CID 130281986) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 1-[[(Z)-ethylideneamino]-[(E)-pent-1-enyl]amino]-3,3-dimethylbutan-2-one.

Molecular Properties

Compound Name1-[[(Z)-ethylideneamino]-[(E)-pent-1-enyl]amino]-3,3-dimethylbutan-2-one
PubChem CID130281986
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name1-[[(Z)-ethylideneamino]-[(E)-pent-1-enyl]amino]-3,3-dimethylbutan-2-one
SMILESC/C=N\N(/C=C/CCC)CC(=O)C(C)(C)C
InChIInChI=1S/C13H24N2O/c1-6-8-9-10-15(14-7-2)11-12(16)13(3,4)5/h7,9-10H,6,8,11H2,1-5H3/b10-9+,14-7-
InChIKeyKLLGUSRTKPKNPR-IXISGIECSA-N
XLogP3.22
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[[(Z)-ethylideneamino]-[(E)-pent-1-enyl]amino]-3,3-dimethylbutan-2-one?
The IUPAC name of 1-[[(Z)-ethylideneamino]-[(E)-pent-1-enyl]amino]-3,3-dimethylbutan-2-one (CID 130281986) is 1-[[(Z)-ethylideneamino]-[(E)-pent-1-enyl]amino]-3,3-dimethylbutan-2-one.
What is the SMILES notation for 1-[[(Z)-ethylideneamino]-[(E)-pent-1-enyl]amino]-3,3-dimethylbutan-2-one?
The canonical SMILES for 1-[[(Z)-ethylideneamino]-[(E)-pent-1-enyl]amino]-3,3-dimethylbutan-2-one is C/C=N\N(/C=C/CCC)CC(=O)C(C)(C)C.
What is the InChIKey of 1-[[(Z)-ethylideneamino]-[(E)-pent-1-enyl]amino]-3,3-dimethylbutan-2-one?
The InChIKey is KLLGUSRTKPKNPR-IXISGIECSA-N. The full InChI is InChI=1S/C13H24N2O/c1-6-8-9-10-15(14-7-2)11-12(16)13(3,4)5/h7,9-10H,6,8,11H2,1-5H3/b10-9+,14-7-.
What are the key properties of 1-[[(Z)-ethylideneamino]-[(E)-pent-1-enyl]amino]-3,3-dimethylbutan-2-one?
1-[[(Z)-ethylideneamino]-[(E)-pent-1-enyl]amino]-3,3-dimethylbutan-2-one has a molecular weight of 224.35 g/mol, XLogP of 3.22, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(Z)-ethylideneamino]-[(E)-pent-1-enyl]amino]-3,3-dimethylbutan-2-one is sourced from PubChem (CID 130281986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).