(3E,5E,7Z)-6-[C-ethyl-N-[5-methyl-7-(2-methylprop-1-enyl)cyclohepta-1,3,6-trien-1-yl]carbonimidoyl]nona-1,3,5,7-tetraen-3-amine

C24H32N2 — CID 134581642

IUPAC(3E,5E,7Z)-6-[C-ethyl-N-[5-methyl-7-(2-methylprop-1-enyl)cyclohepta-1,3,6-trien-1-yl]carbonimidoyl]nona-1,3,5,7-tetraen-3-amine
SMILESC=C/C(N)=C\C=C(/C=C\C)C(\CC)=N\C1=CC=CC(C)C=C1C=C(C)C
InChIInChI=1S/C24H32N2/c1-7-11-20(14-15-22(25)8-2)23(9-3)26-24-13-10-12-19(6)17-21(24)16-18(4)5/h7-8,10-17,19H,2,9,25H2,1,3-6H3/b11-7-,20-14+,22-15+,26-23+
InChIKeyZAEOVWGGYQMZIO-ZTLCXTJJSA-N
MW348.53 g/mol
LogP6.35
Rot. Bonds7

About (3E,5E,7Z)-6-[C-ethyl-N-[5-methyl-7-(2-methylprop-1-enyl)cyclohepta-1,3,6-trien-1-yl]carbonimidoyl]nona-1,3,5,7-tetraen-3-amine

(3E,5E,7Z)-6-[C-ethyl-N-[5-methyl-7-(2-methylprop-1-enyl)cyclohepta-1,3,6-trien-1-yl]carbonimidoyl]nona-1,3,5,7-tetraen-3-amine (PubChem CID 134581642) has the molecular formula C24H32N2 and a molecular weight of 348.53 g/mol. Its IUPAC name is (3E,5E,7Z)-6-[C-ethyl-N-[5-methyl-7-(2-methylprop-1-enyl)cyclohepta-1,3,6-trien-1-yl]carbonimidoyl]nona-1,3,5,7-tetraen-3-amine.

Molecular Properties

Compound Name(3E,5E,7Z)-6-[C-ethyl-N-[5-methyl-7-(2-methylprop-1-enyl)cyclohepta-1,3,6-trien-1-yl]carbonimidoyl]nona-1,3,5,7-tetraen-3-amine
PubChem CID134581642
Molecular FormulaC24H32N2
Molecular Weight348.53 g/mol
Exact Mass348.26
IUPAC Name(3E,5E,7Z)-6-[C-ethyl-N-[5-methyl-7-(2-methylprop-1-enyl)cyclohepta-1,3,6-trien-1-yl]carbonimidoyl]nona-1,3,5,7-tetraen-3-amine
SMILESC=C/C(N)=C\C=C(/C=C\C)C(\CC)=N\C1=CC=CC(C)C=C1C=C(C)C
InChIInChI=1S/C24H32N2/c1-7-11-20(14-15-22(25)8-2)23(9-3)26-24-13-10-12-19(6)17-21(24)16-18(4)5/h7-8,10-17,19H,2,9,25H2,1,3-6H3/b11-7-,20-14+,22-15+,26-23+
InChIKeyZAEOVWGGYQMZIO-ZTLCXTJJSA-N
XLogP6.35
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.53
LogP ≤ 56.35
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 (3E,5E,7Z)-6-[C-ethyl-N-[5-methyl-7-(2-methylprop-1-enyl)cyclohepta-1,3,6-trien-1-yl]carbonimidoyl]nona-1,3,5,7-tetraen-3-amine?
The IUPAC name of (3E,5E,7Z)-6-[C-ethyl-N-[5-methyl-7-(2-methylprop-1-enyl)cyclohepta-1,3,6-trien-1-yl]carbonimidoyl]nona-1,3,5,7-tetraen-3-amine (CID 134581642) is (3E,5E,7Z)-6-[C-ethyl-N-[5-methyl-7-(2-methylprop-1-enyl)cyclohepta-1,3,6-trien-1-yl]carbonimidoyl]nona-1,3,5,7-tetraen-3-amine.
What is the SMILES notation for (3E,5E,7Z)-6-[C-ethyl-N-[5-methyl-7-(2-methylprop-1-enyl)cyclohepta-1,3,6-trien-1-yl]carbonimidoyl]nona-1,3,5,7-tetraen-3-amine?
The canonical SMILES for (3E,5E,7Z)-6-[C-ethyl-N-[5-methyl-7-(2-methylprop-1-enyl)cyclohepta-1,3,6-trien-1-yl]carbonimidoyl]nona-1,3,5,7-tetraen-3-amine is C=C/C(N)=C\C=C(/C=C\C)C(\CC)=N\C1=CC=CC(C)C=C1C=C(C)C.
What is the InChIKey of (3E,5E,7Z)-6-[C-ethyl-N-[5-methyl-7-(2-methylprop-1-enyl)cyclohepta-1,3,6-trien-1-yl]carbonimidoyl]nona-1,3,5,7-tetraen-3-amine?
The InChIKey is ZAEOVWGGYQMZIO-ZTLCXTJJSA-N. The full InChI is InChI=1S/C24H32N2/c1-7-11-20(14-15-22(25)8-2)23(9-3)26-24-13-10-12-19(6)17-21(24)16-18(4)5/h7-8,10-17,19H,2,9,25H2,1,3-6H3/b11-7-,20-14+,22-15+,26-23+.
What are the key properties of (3E,5E,7Z)-6-[C-ethyl-N-[5-methyl-7-(2-methylprop-1-enyl)cyclohepta-1,3,6-trien-1-yl]carbonimidoyl]nona-1,3,5,7-tetraen-3-amine?
(3E,5E,7Z)-6-[C-ethyl-N-[5-methyl-7-(2-methylprop-1-enyl)cyclohepta-1,3,6-trien-1-yl]carbonimidoyl]nona-1,3,5,7-tetraen-3-amine has a molecular weight of 348.53 g/mol, XLogP of 6.35, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5E,7Z)-6-[C-ethyl-N-[5-methyl-7-(2-methylprop-1-enyl)cyclohepta-1,3,6-trien-1-yl]carbonimidoyl]nona-1,3,5,7-tetraen-3-amine is sourced from PubChem (CID 134581642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).