(1Z,3E,4Z)-N-[5-(diethylamino)pentan-2-yl]-2-[1-(4-fluorophenyl)ethenyl]-1-hydrazinyl-3-prop-2-enylidenepenta-1,4-diene-1,5-diamine

C25H38FN5 — CID 89331665

IUPAC(1Z,3E,4Z)-N-[5-(diethylamino)pentan-2-yl]-2-[1-(4-fluorophenyl)ethenyl]-1-hydrazinyl-3-prop-2-enylidenepenta-1,4-diene-1,5-diamine
SMILESC=C/C=C(\C=C/N)C(/C(=C)c1ccc(F)cc1)=C(/NN)NC(C)CCCN(CC)CC
InChIInChI=1S/C25H38FN5/c1-6-10-22(16-17-27)24(20(5)21-12-14-23(26)15-13-21)25(30-28)29-19(4)11-9-18-31(7-2)8-3/h6,10,12-17,19,29-30H,1,5,7-9,11,18,27-28H2,2-4H3/b17-16-,22-10+,25-24+
InChIKeyZKAQFWPTCREBAK-BAYSTGAPSA-N
MW427.61 g/mol
LogP4.20
Rot. Bonds14

About (1Z,3E,4Z)-N-[5-(diethylamino)pentan-2-yl]-2-[1-(4-fluorophenyl)ethenyl]-1-hydrazinyl-3-prop-2-enylidenepenta-1,4-diene-1,5-diamine

(1Z,3E,4Z)-N-[5-(diethylamino)pentan-2-yl]-2-[1-(4-fluorophenyl)ethenyl]-1-hydrazinyl-3-prop-2-enylidenepenta-1,4-diene-1,5-diamine (PubChem CID 89331665) has the molecular formula C25H38FN5 and a molecular weight of 427.61 g/mol. Its IUPAC name is (1Z,3E,4Z)-N-[5-(diethylamino)pentan-2-yl]-2-[1-(4-fluorophenyl)ethenyl]-1-hydrazinyl-3-prop-2-enylidenepenta-1,4-diene-1,5-diamine.

Molecular Properties

Compound Name(1Z,3E,4Z)-N-[5-(diethylamino)pentan-2-yl]-2-[1-(4-fluorophenyl)ethenyl]-1-hydrazinyl-3-prop-2-enylidenepenta-1,4-diene-1,5-diamine
PubChem CID89331665
Molecular FormulaC25H38FN5
Molecular Weight427.61 g/mol
Exact Mass427.31
IUPAC Name(1Z,3E,4Z)-N-[5-(diethylamino)pentan-2-yl]-2-[1-(4-fluorophenyl)ethenyl]-1-hydrazinyl-3-prop-2-enylidenepenta-1,4-diene-1,5-diamine
SMILESC=C/C=C(\C=C/N)C(/C(=C)c1ccc(F)cc1)=C(/NN)NC(C)CCCN(CC)CC
InChIInChI=1S/C25H38FN5/c1-6-10-22(16-17-27)24(20(5)21-12-14-23(26)15-13-21)25(30-28)29-19(4)11-9-18-31(7-2)8-3/h6,10,12-17,19,29-30H,1,5,7-9,11,18,27-28H2,2-4H3/b17-16-,22-10+,25-24+
InChIKeyZKAQFWPTCREBAK-BAYSTGAPSA-N
XLogP4.20
TPSA79.34 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.61
LogP ≤ 54.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1Z,3E,4Z)-N-[5-(diethylamino)pentan-2-yl]-2-[1-(4-fluorophenyl)ethenyl]-1-hydrazinyl-3-prop-2-enylidenepenta-1,4-diene-1,5-diamine?
The IUPAC name of (1Z,3E,4Z)-N-[5-(diethylamino)pentan-2-yl]-2-[1-(4-fluorophenyl)ethenyl]-1-hydrazinyl-3-prop-2-enylidenepenta-1,4-diene-1,5-diamine (CID 89331665) is (1Z,3E,4Z)-N-[5-(diethylamino)pentan-2-yl]-2-[1-(4-fluorophenyl)ethenyl]-1-hydrazinyl-3-prop-2-enylidenepenta-1,4-diene-1,5-diamine.
What is the SMILES notation for (1Z,3E,4Z)-N-[5-(diethylamino)pentan-2-yl]-2-[1-(4-fluorophenyl)ethenyl]-1-hydrazinyl-3-prop-2-enylidenepenta-1,4-diene-1,5-diamine?
The canonical SMILES for (1Z,3E,4Z)-N-[5-(diethylamino)pentan-2-yl]-2-[1-(4-fluorophenyl)ethenyl]-1-hydrazinyl-3-prop-2-enylidenepenta-1,4-diene-1,5-diamine is C=C/C=C(\C=C/N)C(/C(=C)c1ccc(F)cc1)=C(/NN)NC(C)CCCN(CC)CC.
What is the InChIKey of (1Z,3E,4Z)-N-[5-(diethylamino)pentan-2-yl]-2-[1-(4-fluorophenyl)ethenyl]-1-hydrazinyl-3-prop-2-enylidenepenta-1,4-diene-1,5-diamine?
The InChIKey is ZKAQFWPTCREBAK-BAYSTGAPSA-N. The full InChI is InChI=1S/C25H38FN5/c1-6-10-22(16-17-27)24(20(5)21-12-14-23(26)15-13-21)25(30-28)29-19(4)11-9-18-31(7-2)8-3/h6,10,12-17,19,29-30H,1,5,7-9,11,18,27-28H2,2-4H3/b17-16-,22-10+,25-24+.
What are the key properties of (1Z,3E,4Z)-N-[5-(diethylamino)pentan-2-yl]-2-[1-(4-fluorophenyl)ethenyl]-1-hydrazinyl-3-prop-2-enylidenepenta-1,4-diene-1,5-diamine?
(1Z,3E,4Z)-N-[5-(diethylamino)pentan-2-yl]-2-[1-(4-fluorophenyl)ethenyl]-1-hydrazinyl-3-prop-2-enylidenepenta-1,4-diene-1,5-diamine has a molecular weight of 427.61 g/mol, XLogP of 4.20, 14 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3E,4Z)-N-[5-(diethylamino)pentan-2-yl]-2-[1-(4-fluorophenyl)ethenyl]-1-hydrazinyl-3-prop-2-enylidenepenta-1,4-diene-1,5-diamine is sourced from PubChem (CID 89331665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).