(3Z)-N-[2-(4-fluorophenyl)-2-methylpropyl]-5-methylimino-5-(4-methylphenyl)penta-1,3-dien-2-amine

C23H27FN2 — CID 139323702

IUPAC(3Z)-N-[2-(4-fluorophenyl)-2-methylpropyl]-5-methylimino-5-(4-methylphenyl)penta-1,3-dien-2-amine
SMILESC=C(/C=C\C(=N\C)c1ccc(C)cc1)NCC(C)(C)c1ccc(F)cc1
InChIInChI=1S/C23H27FN2/c1-17-6-9-19(10-7-17)22(25-5)15-8-18(2)26-16-23(3,4)20-11-13-21(24)14-12-20/h6-15,26H,2,16H2,1,3-5H3/b15-8-,25-22-
InChIKeyPPRKRYUPNCIBFQ-OPJDWGISSA-N
MW350.48 g/mol
LogP5.19
Rot. Bonds7

About (3Z)-N-[2-(4-fluorophenyl)-2-methylpropyl]-5-methylimino-5-(4-methylphenyl)penta-1,3-dien-2-amine

(3Z)-N-[2-(4-fluorophenyl)-2-methylpropyl]-5-methylimino-5-(4-methylphenyl)penta-1,3-dien-2-amine (PubChem CID 139323702) has the molecular formula C23H27FN2 and a molecular weight of 350.48 g/mol. Its IUPAC name is (3Z)-N-[2-(4-fluorophenyl)-2-methylpropyl]-5-methylimino-5-(4-methylphenyl)penta-1,3-dien-2-amine.

Molecular Properties

Compound Name(3Z)-N-[2-(4-fluorophenyl)-2-methylpropyl]-5-methylimino-5-(4-methylphenyl)penta-1,3-dien-2-amine
PubChem CID139323702
Molecular FormulaC23H27FN2
Molecular Weight350.48 g/mol
Exact Mass350.22
IUPAC Name(3Z)-N-[2-(4-fluorophenyl)-2-methylpropyl]-5-methylimino-5-(4-methylphenyl)penta-1,3-dien-2-amine
SMILESC=C(/C=C\C(=N\C)c1ccc(C)cc1)NCC(C)(C)c1ccc(F)cc1
InChIInChI=1S/C23H27FN2/c1-17-6-9-19(10-7-17)22(25-5)15-8-18(2)26-16-23(3,4)20-11-13-21(24)14-12-20/h6-15,26H,2,16H2,1,3-5H3/b15-8-,25-22-
InChIKeyPPRKRYUPNCIBFQ-OPJDWGISSA-N
XLogP5.19
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.48
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3Z)-N-[2-(4-fluorophenyl)-2-methylpropyl]-5-methylimino-5-(4-methylphenyl)penta-1,3-dien-2-amine?
The IUPAC name of (3Z)-N-[2-(4-fluorophenyl)-2-methylpropyl]-5-methylimino-5-(4-methylphenyl)penta-1,3-dien-2-amine (CID 139323702) is (3Z)-N-[2-(4-fluorophenyl)-2-methylpropyl]-5-methylimino-5-(4-methylphenyl)penta-1,3-dien-2-amine.
What is the SMILES notation for (3Z)-N-[2-(4-fluorophenyl)-2-methylpropyl]-5-methylimino-5-(4-methylphenyl)penta-1,3-dien-2-amine?
The canonical SMILES for (3Z)-N-[2-(4-fluorophenyl)-2-methylpropyl]-5-methylimino-5-(4-methylphenyl)penta-1,3-dien-2-amine is C=C(/C=C\C(=N\C)c1ccc(C)cc1)NCC(C)(C)c1ccc(F)cc1.
What is the InChIKey of (3Z)-N-[2-(4-fluorophenyl)-2-methylpropyl]-5-methylimino-5-(4-methylphenyl)penta-1,3-dien-2-amine?
The InChIKey is PPRKRYUPNCIBFQ-OPJDWGISSA-N. The full InChI is InChI=1S/C23H27FN2/c1-17-6-9-19(10-7-17)22(25-5)15-8-18(2)26-16-23(3,4)20-11-13-21(24)14-12-20/h6-15,26H,2,16H2,1,3-5H3/b15-8-,25-22-.
What are the key properties of (3Z)-N-[2-(4-fluorophenyl)-2-methylpropyl]-5-methylimino-5-(4-methylphenyl)penta-1,3-dien-2-amine?
(3Z)-N-[2-(4-fluorophenyl)-2-methylpropyl]-5-methylimino-5-(4-methylphenyl)penta-1,3-dien-2-amine has a molecular weight of 350.48 g/mol, XLogP of 5.19, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-N-[2-(4-fluorophenyl)-2-methylpropyl]-5-methylimino-5-(4-methylphenyl)penta-1,3-dien-2-amine is sourced from PubChem (CID 139323702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).