1-N-[(E)-1-(4-fluorophenyl)ethylideneamino]-1-N-methyl-1-N'-[(Z)-2-(methylamino)ethenyl]-1-N'-[(Z)-prop-2-enylideneamino]ethane-1,1-diamine

C17H24FN5 — CID 167126008

IUPAC1-N-[(E)-1-(4-fluorophenyl)ethylideneamino]-1-N-methyl-1-N'-[(Z)-2-(methylamino)ethenyl]-1-N'-[(Z)-prop-2-enylideneamino]ethane-1,1-diamine
SMILESC=C/C=N\N(/C=C\NC)C(C)N(C)/N=C(\C)c1ccc(F)cc1
InChIInChI=1S/C17H24FN5/c1-6-11-20-23(13-12-19-4)15(3)22(5)21-14(2)16-7-9-17(18)10-8-16/h6-13,15,19H,1H2,2-5H3/b13-12-,20-11-,21-14+
InChIKeyCOZGLMJPQSGMIC-ZNCNTCTDSA-N
MW317.41 g/mol
LogP2.99
Rot. Bonds8

About 1-N-[(E)-1-(4-fluorophenyl)ethylideneamino]-1-N-methyl-1-N'-[(Z)-2-(methylamino)ethenyl]-1-N'-[(Z)-prop-2-enylideneamino]ethane-1,1-diamine

1-N-[(E)-1-(4-fluorophenyl)ethylideneamino]-1-N-methyl-1-N'-[(Z)-2-(methylamino)ethenyl]-1-N'-[(Z)-prop-2-enylideneamino]ethane-1,1-diamine (PubChem CID 167126008) has the molecular formula C17H24FN5 and a molecular weight of 317.41 g/mol. Its IUPAC name is 1-N-[(E)-1-(4-fluorophenyl)ethylideneamino]-1-N-methyl-1-N'-[(Z)-2-(methylamino)ethenyl]-1-N'-[(Z)-prop-2-enylideneamino]ethane-1,1-diamine.

Molecular Properties

Compound Name1-N-[(E)-1-(4-fluorophenyl)ethylideneamino]-1-N-methyl-1-N'-[(Z)-2-(methylamino)ethenyl]-1-N'-[(Z)-prop-2-enylideneamino]ethane-1,1-diamine
PubChem CID167126008
Molecular FormulaC17H24FN5
Molecular Weight317.41 g/mol
Exact Mass317.20
IUPAC Name1-N-[(E)-1-(4-fluorophenyl)ethylideneamino]-1-N-methyl-1-N'-[(Z)-2-(methylamino)ethenyl]-1-N'-[(Z)-prop-2-enylideneamino]ethane-1,1-diamine
SMILESC=C/C=N\N(/C=C\NC)C(C)N(C)/N=C(\C)c1ccc(F)cc1
InChIInChI=1S/C17H24FN5/c1-6-11-20-23(13-12-19-4)15(3)22(5)21-14(2)16-7-9-17(18)10-8-16/h6-13,15,19H,1H2,2-5H3/b13-12-,20-11-,21-14+
InChIKeyCOZGLMJPQSGMIC-ZNCNTCTDSA-N
XLogP2.99
TPSA43.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-N-[(E)-1-(4-fluorophenyl)ethylideneamino]-1-N-methyl-1-N'-[(Z)-2-(methylamino)ethenyl]-1-N'-[(Z)-prop-2-enylideneamino]ethane-1,1-diamine 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-N-[(E)-1-(4-fluorophenyl)ethylideneamino]-1-N-methyl-1-N'-[(Z)-2-(methylamino)ethenyl]-1-N'-[(Z)-prop-2-enylideneamino]ethane-1,1-diamine?
The IUPAC name of 1-N-[(E)-1-(4-fluorophenyl)ethylideneamino]-1-N-methyl-1-N'-[(Z)-2-(methylamino)ethenyl]-1-N'-[(Z)-prop-2-enylideneamino]ethane-1,1-diamine (CID 167126008) is 1-N-[(E)-1-(4-fluorophenyl)ethylideneamino]-1-N-methyl-1-N'-[(Z)-2-(methylamino)ethenyl]-1-N'-[(Z)-prop-2-enylideneamino]ethane-1,1-diamine.
What is the SMILES notation for 1-N-[(E)-1-(4-fluorophenyl)ethylideneamino]-1-N-methyl-1-N'-[(Z)-2-(methylamino)ethenyl]-1-N'-[(Z)-prop-2-enylideneamino]ethane-1,1-diamine?
The canonical SMILES for 1-N-[(E)-1-(4-fluorophenyl)ethylideneamino]-1-N-methyl-1-N'-[(Z)-2-(methylamino)ethenyl]-1-N'-[(Z)-prop-2-enylideneamino]ethane-1,1-diamine is C=C/C=N\N(/C=C\NC)C(C)N(C)/N=C(\C)c1ccc(F)cc1.
What is the InChIKey of 1-N-[(E)-1-(4-fluorophenyl)ethylideneamino]-1-N-methyl-1-N'-[(Z)-2-(methylamino)ethenyl]-1-N'-[(Z)-prop-2-enylideneamino]ethane-1,1-diamine?
The InChIKey is COZGLMJPQSGMIC-ZNCNTCTDSA-N. The full InChI is InChI=1S/C17H24FN5/c1-6-11-20-23(13-12-19-4)15(3)22(5)21-14(2)16-7-9-17(18)10-8-16/h6-13,15,19H,1H2,2-5H3/b13-12-,20-11-,21-14+.
What are the key properties of 1-N-[(E)-1-(4-fluorophenyl)ethylideneamino]-1-N-methyl-1-N'-[(Z)-2-(methylamino)ethenyl]-1-N'-[(Z)-prop-2-enylideneamino]ethane-1,1-diamine?
1-N-[(E)-1-(4-fluorophenyl)ethylideneamino]-1-N-methyl-1-N'-[(Z)-2-(methylamino)ethenyl]-1-N'-[(Z)-prop-2-enylideneamino]ethane-1,1-diamine has a molecular weight of 317.41 g/mol, XLogP of 2.99, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(E)-1-(4-fluorophenyl)ethylideneamino]-1-N-methyl-1-N'-[(Z)-2-(methylamino)ethenyl]-1-N'-[(Z)-prop-2-enylideneamino]ethane-1,1-diamine is sourced from PubChem (CID 167126008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).