(3E,4Z)-3-ethylidene-2-(5-methyl-2-phenyl-1H-indol-3-yl)hepta-4,6-dien-1-amine

C24H26N2 — CID 135248305

IUPAC(3E,4Z)-3-ethylidene-2-(5-methyl-2-phenyl-1H-indol-3-yl)hepta-4,6-dien-1-amine
SMILESC=C/C=C\C(=C/C)C(CN)c1c(-c2ccccc2)[nH]c2ccc(C)cc12
InChIInChI=1S/C24H26N2/c1-4-6-10-18(5-2)21(16-25)23-20-15-17(3)13-14-22(20)26-24(23)19-11-8-7-9-12-19/h4-15,21,26H,1,16,25H2,2-3H3/b10-6-,18-5+
InChIKeyRHKPVEINKOTTOV-VEXZSJAPSA-N
MW342.49 g/mol
LogP5.87
Rot. Bonds6

About (3E,4Z)-3-ethylidene-2-(5-methyl-2-phenyl-1H-indol-3-yl)hepta-4,6-dien-1-amine

(3E,4Z)-3-ethylidene-2-(5-methyl-2-phenyl-1H-indol-3-yl)hepta-4,6-dien-1-amine (PubChem CID 135248305) has the molecular formula C24H26N2 and a molecular weight of 342.49 g/mol. Its IUPAC name is (3E,4Z)-3-ethylidene-2-(5-methyl-2-phenyl-1H-indol-3-yl)hepta-4,6-dien-1-amine.

Molecular Properties

Compound Name(3E,4Z)-3-ethylidene-2-(5-methyl-2-phenyl-1H-indol-3-yl)hepta-4,6-dien-1-amine
PubChem CID135248305
Molecular FormulaC24H26N2
Molecular Weight342.49 g/mol
Exact Mass342.21
IUPAC Name(3E,4Z)-3-ethylidene-2-(5-methyl-2-phenyl-1H-indol-3-yl)hepta-4,6-dien-1-amine
SMILESC=C/C=C\C(=C/C)C(CN)c1c(-c2ccccc2)[nH]c2ccc(C)cc12
InChIInChI=1S/C24H26N2/c1-4-6-10-18(5-2)21(16-25)23-20-15-17(3)13-14-22(20)26-24(23)19-11-8-7-9-12-19/h4-15,21,26H,1,16,25H2,2-3H3/b10-6-,18-5+
InChIKeyRHKPVEINKOTTOV-VEXZSJAPSA-N
XLogP5.87
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.49
LogP ≤ 55.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3E,4Z)-3-ethylidene-2-(5-methyl-2-phenyl-1H-indol-3-yl)hepta-4,6-dien-1-amine?
The IUPAC name of (3E,4Z)-3-ethylidene-2-(5-methyl-2-phenyl-1H-indol-3-yl)hepta-4,6-dien-1-amine (CID 135248305) is (3E,4Z)-3-ethylidene-2-(5-methyl-2-phenyl-1H-indol-3-yl)hepta-4,6-dien-1-amine.
What is the SMILES notation for (3E,4Z)-3-ethylidene-2-(5-methyl-2-phenyl-1H-indol-3-yl)hepta-4,6-dien-1-amine?
The canonical SMILES for (3E,4Z)-3-ethylidene-2-(5-methyl-2-phenyl-1H-indol-3-yl)hepta-4,6-dien-1-amine is C=C/C=C\C(=C/C)C(CN)c1c(-c2ccccc2)[nH]c2ccc(C)cc12.
What is the InChIKey of (3E,4Z)-3-ethylidene-2-(5-methyl-2-phenyl-1H-indol-3-yl)hepta-4,6-dien-1-amine?
The InChIKey is RHKPVEINKOTTOV-VEXZSJAPSA-N. The full InChI is InChI=1S/C24H26N2/c1-4-6-10-18(5-2)21(16-25)23-20-15-17(3)13-14-22(20)26-24(23)19-11-8-7-9-12-19/h4-15,21,26H,1,16,25H2,2-3H3/b10-6-,18-5+.
What are the key properties of (3E,4Z)-3-ethylidene-2-(5-methyl-2-phenyl-1H-indol-3-yl)hepta-4,6-dien-1-amine?
(3E,4Z)-3-ethylidene-2-(5-methyl-2-phenyl-1H-indol-3-yl)hepta-4,6-dien-1-amine has a molecular weight of 342.49 g/mol, XLogP of 5.87, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,4Z)-3-ethylidene-2-(5-methyl-2-phenyl-1H-indol-3-yl)hepta-4,6-dien-1-amine is sourced from PubChem (CID 135248305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).