(3E,5Z)-N-[(2E,4Z)-6-methyliminohexa-2,4-dien-3-yl]-N-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]octa-1,3,5,7-tetraen-4-amine

C23H28N2 — CID 137434946

IUPAC(3E,5Z)-N-[(2E,4Z)-6-methyliminohexa-2,4-dien-3-yl]-N-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]octa-1,3,5,7-tetraen-4-amine
SMILESC=C/C=C\C(=C/C=C)N(C(/C=C\C=N\C)=C/C)C(/C=C\C=C)=C/C=C
InChIInChI=1S/C23H28N2/c1-7-12-17-22(15-9-3)25(21(11-5)19-14-20-24-6)23(16-10-4)18-13-8-2/h7-20H,1-4H2,5-6H3/b17-12-,18-13-,19-14-,21-11+,22-15+,23-16+,24-20+
InChIKeyGKZJZRFIEWYBTJ-REJZQHLVSA-N
MW332.49 g/mol
LogP6.07
Rot. Bonds11

About (3E,5Z)-N-[(2E,4Z)-6-methyliminohexa-2,4-dien-3-yl]-N-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]octa-1,3,5,7-tetraen-4-amine

(3E,5Z)-N-[(2E,4Z)-6-methyliminohexa-2,4-dien-3-yl]-N-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]octa-1,3,5,7-tetraen-4-amine (PubChem CID 137434946) has the molecular formula C23H28N2 and a molecular weight of 332.49 g/mol. Its IUPAC name is (3E,5Z)-N-[(2E,4Z)-6-methyliminohexa-2,4-dien-3-yl]-N-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]octa-1,3,5,7-tetraen-4-amine.

Molecular Properties

Compound Name(3E,5Z)-N-[(2E,4Z)-6-methyliminohexa-2,4-dien-3-yl]-N-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]octa-1,3,5,7-tetraen-4-amine
PubChem CID137434946
Molecular FormulaC23H28N2
Molecular Weight332.49 g/mol
Exact Mass332.23
IUPAC Name(3E,5Z)-N-[(2E,4Z)-6-methyliminohexa-2,4-dien-3-yl]-N-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]octa-1,3,5,7-tetraen-4-amine
SMILESC=C/C=C\C(=C/C=C)N(C(/C=C\C=N\C)=C/C)C(/C=C\C=C)=C/C=C
InChIInChI=1S/C23H28N2/c1-7-12-17-22(15-9-3)25(21(11-5)19-14-20-24-6)23(16-10-4)18-13-8-2/h7-20H,1-4H2,5-6H3/b17-12-,18-13-,19-14-,21-11+,22-15+,23-16+,24-20+
InChIKeyGKZJZRFIEWYBTJ-REJZQHLVSA-N
XLogP6.07
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.49
LogP ≤ 56.07
H-Bond Donors ≤ 50
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 (3E,5Z)-N-[(2E,4Z)-6-methyliminohexa-2,4-dien-3-yl]-N-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]octa-1,3,5,7-tetraen-4-amine?
The IUPAC name of (3E,5Z)-N-[(2E,4Z)-6-methyliminohexa-2,4-dien-3-yl]-N-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]octa-1,3,5,7-tetraen-4-amine (CID 137434946) is (3E,5Z)-N-[(2E,4Z)-6-methyliminohexa-2,4-dien-3-yl]-N-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]octa-1,3,5,7-tetraen-4-amine.
What is the SMILES notation for (3E,5Z)-N-[(2E,4Z)-6-methyliminohexa-2,4-dien-3-yl]-N-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]octa-1,3,5,7-tetraen-4-amine?
The canonical SMILES for (3E,5Z)-N-[(2E,4Z)-6-methyliminohexa-2,4-dien-3-yl]-N-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]octa-1,3,5,7-tetraen-4-amine is C=C/C=C\C(=C/C=C)N(C(/C=C\C=N\C)=C/C)C(/C=C\C=C)=C/C=C.
What is the InChIKey of (3E,5Z)-N-[(2E,4Z)-6-methyliminohexa-2,4-dien-3-yl]-N-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]octa-1,3,5,7-tetraen-4-amine?
The InChIKey is GKZJZRFIEWYBTJ-REJZQHLVSA-N. The full InChI is InChI=1S/C23H28N2/c1-7-12-17-22(15-9-3)25(21(11-5)19-14-20-24-6)23(16-10-4)18-13-8-2/h7-20H,1-4H2,5-6H3/b17-12-,18-13-,19-14-,21-11+,22-15+,23-16+,24-20+.
What are the key properties of (3E,5Z)-N-[(2E,4Z)-6-methyliminohexa-2,4-dien-3-yl]-N-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]octa-1,3,5,7-tetraen-4-amine?
(3E,5Z)-N-[(2E,4Z)-6-methyliminohexa-2,4-dien-3-yl]-N-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]octa-1,3,5,7-tetraen-4-amine has a molecular weight of 332.49 g/mol, XLogP of 6.07, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5Z)-N-[(2E,4Z)-6-methyliminohexa-2,4-dien-3-yl]-N-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]octa-1,3,5,7-tetraen-4-amine is sourced from PubChem (CID 137434946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).