(Z)-4-[3-(diethylamino)propylamino]pent-3-en-2-one

C12H24N2O — CID 138570895

IUPAC(Z)-4-[3-(diethylamino)propylamino]pent-3-en-2-one
SMILESCCN(CC)CCCN/C(C)=C\C(C)=O
InChIInChI=1S/C12H24N2O/c1-5-14(6-2)9-7-8-13-11(3)10-12(4)15/h10,13H,5-9H2,1-4H3/b11-10-
InChIKeyCIBZTIORJUYRFC-KHPPLWFESA-N
MW212.34 g/mol
LogP1.80
Rot. Bonds8

About (Z)-4-[3-(diethylamino)propylamino]pent-3-en-2-one

(Z)-4-[3-(diethylamino)propylamino]pent-3-en-2-one (PubChem CID 138570895) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is (Z)-4-[3-(diethylamino)propylamino]pent-3-en-2-one.

Molecular Properties

Compound Name(Z)-4-[3-(diethylamino)propylamino]pent-3-en-2-one
PubChem CID138570895
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name(Z)-4-[3-(diethylamino)propylamino]pent-3-en-2-one
SMILESCCN(CC)CCCN/C(C)=C\C(C)=O
InChIInChI=1S/C12H24N2O/c1-5-14(6-2)9-7-8-13-11(3)10-12(4)15/h10,13H,5-9H2,1-4H3/b11-10-
InChIKeyCIBZTIORJUYRFC-KHPPLWFESA-N
XLogP1.80
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.80
H-Bond Donors ≤ 51
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'}

Analyze (Z)-4-[3-(diethylamino)propylamino]pent-3-en-2-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 (Z)-4-[3-(diethylamino)propylamino]pent-3-en-2-one?
The IUPAC name of (Z)-4-[3-(diethylamino)propylamino]pent-3-en-2-one (CID 138570895) is (Z)-4-[3-(diethylamino)propylamino]pent-3-en-2-one.
What is the SMILES notation for (Z)-4-[3-(diethylamino)propylamino]pent-3-en-2-one?
The canonical SMILES for (Z)-4-[3-(diethylamino)propylamino]pent-3-en-2-one is CCN(CC)CCCN/C(C)=C\C(C)=O.
What is the InChIKey of (Z)-4-[3-(diethylamino)propylamino]pent-3-en-2-one?
The InChIKey is CIBZTIORJUYRFC-KHPPLWFESA-N. The full InChI is InChI=1S/C12H24N2O/c1-5-14(6-2)9-7-8-13-11(3)10-12(4)15/h10,13H,5-9H2,1-4H3/b11-10-.
What are the key properties of (Z)-4-[3-(diethylamino)propylamino]pent-3-en-2-one?
(Z)-4-[3-(diethylamino)propylamino]pent-3-en-2-one has a molecular weight of 212.34 g/mol, XLogP of 1.80, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-[3-(diethylamino)propylamino]pent-3-en-2-one is sourced from PubChem (CID 138570895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).