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

C23H34FN5 — CID 89331541

IUPAC(1Z,3E,4Z)-N-[3-(diethylamino)propyl]-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)NCCCN(CC)CC
InChIInChI=1S/C23H34FN5/c1-5-9-20(14-15-25)22(18(4)19-10-12-21(24)13-11-19)23(28-26)27-16-8-17-29(6-2)7-3/h5,9-15,27-28H,1,4,6-8,16-17,25-26H2,2-3H3/b15-14-,20-9+,23-22+
InChIKeyXVOVEBGMYMPRCT-MXXMZEDJSA-N
MW399.56 g/mol
LogP3.42
Rot. Bonds13

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

(1Z,3E,4Z)-N-[3-(diethylamino)propyl]-2-[1-(4-fluorophenyl)ethenyl]-1-hydrazinyl-3-prop-2-enylidenepenta-1,4-diene-1,5-diamine (PubChem CID 89331541) has the molecular formula C23H34FN5 and a molecular weight of 399.56 g/mol. Its IUPAC name is (1Z,3E,4Z)-N-[3-(diethylamino)propyl]-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-[3-(diethylamino)propyl]-2-[1-(4-fluorophenyl)ethenyl]-1-hydrazinyl-3-prop-2-enylidenepenta-1,4-diene-1,5-diamine
PubChem CID89331541
Molecular FormulaC23H34FN5
Molecular Weight399.56 g/mol
Exact Mass399.28
IUPAC Name(1Z,3E,4Z)-N-[3-(diethylamino)propyl]-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)NCCCN(CC)CC
InChIInChI=1S/C23H34FN5/c1-5-9-20(14-15-25)22(18(4)19-10-12-21(24)13-11-19)23(28-26)27-16-8-17-29(6-2)7-3/h5,9-15,27-28H,1,4,6-8,16-17,25-26H2,2-3H3/b15-14-,20-9+,23-22+
InChIKeyXVOVEBGMYMPRCT-MXXMZEDJSA-N
XLogP3.42
TPSA79.34 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.56
LogP ≤ 53.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-[3-(diethylamino)propyl]-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-[3-(diethylamino)propyl]-2-[1-(4-fluorophenyl)ethenyl]-1-hydrazinyl-3-prop-2-enylidenepenta-1,4-diene-1,5-diamine (CID 89331541) is (1Z,3E,4Z)-N-[3-(diethylamino)propyl]-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-[3-(diethylamino)propyl]-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-[3-(diethylamino)propyl]-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)NCCCN(CC)CC.
What is the InChIKey of (1Z,3E,4Z)-N-[3-(diethylamino)propyl]-2-[1-(4-fluorophenyl)ethenyl]-1-hydrazinyl-3-prop-2-enylidenepenta-1,4-diene-1,5-diamine?
The InChIKey is XVOVEBGMYMPRCT-MXXMZEDJSA-N. The full InChI is InChI=1S/C23H34FN5/c1-5-9-20(14-15-25)22(18(4)19-10-12-21(24)13-11-19)23(28-26)27-16-8-17-29(6-2)7-3/h5,9-15,27-28H,1,4,6-8,16-17,25-26H2,2-3H3/b15-14-,20-9+,23-22+.
What are the key properties of (1Z,3E,4Z)-N-[3-(diethylamino)propyl]-2-[1-(4-fluorophenyl)ethenyl]-1-hydrazinyl-3-prop-2-enylidenepenta-1,4-diene-1,5-diamine?
(1Z,3E,4Z)-N-[3-(diethylamino)propyl]-2-[1-(4-fluorophenyl)ethenyl]-1-hydrazinyl-3-prop-2-enylidenepenta-1,4-diene-1,5-diamine has a molecular weight of 399.56 g/mol, XLogP of 3.42, 13 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3E,4Z)-N-[3-(diethylamino)propyl]-2-[1-(4-fluorophenyl)ethenyl]-1-hydrazinyl-3-prop-2-enylidenepenta-1,4-diene-1,5-diamine is sourced from PubChem (CID 89331541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).