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'}

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Related Compounds

(1Z,3Z)-3-[2-(4-fluorophenyl)-2-(methylhydrazinylidene)ethyl]hexa-1,3,5-trien-1-amine
CID 89331468
(1Z,3E)-3-(3-fluorophenyl)-N-[(E)-[(3E,5Z)-3-methylocta-3,5,7-trien-2-ylidene]amino]hexa-1,3,5-trien-1-amine
CID 142047554
(E,4Z)-4-[1-(3H-azepin-5-yl)-2-(4-fluorophenyl)-2-iminoethylidene]-N'-ethenylpent-2-ene-1,5-diamine
CID 142116658
(1E,6Z)-N-[(Z)-[(2E)-2-(aminomethylidene)-1-(4-fluorophenyl)but-3-enylidene]amino]-N,7-dimethylcycloocta-1,4,6-trien-1-amine
CID 142904036
(Z)-1-N'-[1-[[(E)-1-(4-fluorophenyl)ethylideneamino]-methylamino]ethyl]-2-N-methyl-1-N'-[(Z)-prop-2-enylideneamino]ethene-1,1,2-triamine
CID 167126007
1-N-[(Z)-2-(ethenylamino)ethenyl]-1-N'-[(E)-1-(4-fluorophenyl)ethylideneamino]-1-N-methyl-1-N'-(2-trimethylsilylethoxymethyl)ethane-1,1-diamine
CID 173740021
(Z)-N-[4-(4-fluorophenyl)-2-methylidene-6-piperazin-1-ylpyrimidin-1-yl]pentan-1-imine
CID 178156374
(E,5E)-N-ethenyl-5-(4-fluorophenyl)-5-(prop-2-enylhydrazinylidene)pent-2-en-2-amine
CID 143488771
N-(benzylideneamino)-3-methyl-2H-quinazolin-2-amine
CID 140232399
ethane;(3Z,5Z,8Z)-5-(3-fluorophenyl)-6,7-dimethyl-2,7-dihydro-1H-1,3-diazonine
CID 142811554
(Z)-N-methyl-N'-[(E)-1-phenylpropylideneamino]ethene-1,2-diamine
CID 172986499

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).