N-[(1E,4E,6Z)-4-(4-cyclohexylpent-4-en-2-yl)-2,5-dimethylnona-1,4,6,8-tetraenyl]ethanimine

C24H37N — CID 135228780

IUPACN-[(1E,4E,6Z)-4-(4-cyclohexylpent-4-en-2-yl)-2,5-dimethylnona-1,4,6,8-tetraenyl]ethanimine
SMILESC=C/C=C\C(C)=C(/C/C(C)=C/N=C/C)C(C)CC(=C)C1CCCCC1
InChIInChI=1S/C24H37N/c1-7-9-13-20(4)24(16-19(3)18-25-8-2)22(6)17-21(5)23-14-11-10-12-15-23/h7-9,13,18,22-23H,1,5,10-12,14-17H2,2-4,6H3/b13-9-,19-18+,24-20+,25-8+
InChIKeyVFFMSWFSCZEYTA-RHVYTRBISA-N
MW339.57 g/mol
LogP7.59
Rot. Bonds9

About N-[(1E,4E,6Z)-4-(4-cyclohexylpent-4-en-2-yl)-2,5-dimethylnona-1,4,6,8-tetraenyl]ethanimine

N-[(1E,4E,6Z)-4-(4-cyclohexylpent-4-en-2-yl)-2,5-dimethylnona-1,4,6,8-tetraenyl]ethanimine (PubChem CID 135228780) has the molecular formula C24H37N and a molecular weight of 339.57 g/mol. Its IUPAC name is N-[(1E,4E,6Z)-4-(4-cyclohexylpent-4-en-2-yl)-2,5-dimethylnona-1,4,6,8-tetraenyl]ethanimine.

Molecular Properties

Compound NameN-[(1E,4E,6Z)-4-(4-cyclohexylpent-4-en-2-yl)-2,5-dimethylnona-1,4,6,8-tetraenyl]ethanimine
PubChem CID135228780
Molecular FormulaC24H37N
Molecular Weight339.57 g/mol
Exact Mass339.29
IUPAC NameN-[(1E,4E,6Z)-4-(4-cyclohexylpent-4-en-2-yl)-2,5-dimethylnona-1,4,6,8-tetraenyl]ethanimine
SMILESC=C/C=C\C(C)=C(/C/C(C)=C/N=C/C)C(C)CC(=C)C1CCCCC1
InChIInChI=1S/C24H37N/c1-7-9-13-20(4)24(16-19(3)18-25-8-2)22(6)17-21(5)23-14-11-10-12-15-23/h7-9,13,18,22-23H,1,5,10-12,14-17H2,2-4,6H3/b13-9-,19-18+,24-20+,25-8+
InChIKeyVFFMSWFSCZEYTA-RHVYTRBISA-N
XLogP7.59
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.57
LogP ≤ 57.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(1E,4E,6Z)-4-(4-cyclohexylpent-4-en-2-yl)-2,5-dimethylnona-1,4,6,8-tetraenyl]ethanimine?
The IUPAC name of N-[(1E,4E,6Z)-4-(4-cyclohexylpent-4-en-2-yl)-2,5-dimethylnona-1,4,6,8-tetraenyl]ethanimine (CID 135228780) is N-[(1E,4E,6Z)-4-(4-cyclohexylpent-4-en-2-yl)-2,5-dimethylnona-1,4,6,8-tetraenyl]ethanimine.
What is the SMILES notation for N-[(1E,4E,6Z)-4-(4-cyclohexylpent-4-en-2-yl)-2,5-dimethylnona-1,4,6,8-tetraenyl]ethanimine?
The canonical SMILES for N-[(1E,4E,6Z)-4-(4-cyclohexylpent-4-en-2-yl)-2,5-dimethylnona-1,4,6,8-tetraenyl]ethanimine is C=C/C=C\C(C)=C(/C/C(C)=C/N=C/C)C(C)CC(=C)C1CCCCC1.
What is the InChIKey of N-[(1E,4E,6Z)-4-(4-cyclohexylpent-4-en-2-yl)-2,5-dimethylnona-1,4,6,8-tetraenyl]ethanimine?
The InChIKey is VFFMSWFSCZEYTA-RHVYTRBISA-N. The full InChI is InChI=1S/C24H37N/c1-7-9-13-20(4)24(16-19(3)18-25-8-2)22(6)17-21(5)23-14-11-10-12-15-23/h7-9,13,18,22-23H,1,5,10-12,14-17H2,2-4,6H3/b13-9-,19-18+,24-20+,25-8+.
What are the key properties of N-[(1E,4E,6Z)-4-(4-cyclohexylpent-4-en-2-yl)-2,5-dimethylnona-1,4,6,8-tetraenyl]ethanimine?
N-[(1E,4E,6Z)-4-(4-cyclohexylpent-4-en-2-yl)-2,5-dimethylnona-1,4,6,8-tetraenyl]ethanimine has a molecular weight of 339.57 g/mol, XLogP of 7.59, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1E,4E,6Z)-4-(4-cyclohexylpent-4-en-2-yl)-2,5-dimethylnona-1,4,6,8-tetraenyl]ethanimine is sourced from PubChem (CID 135228780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).