(E)-5-cyclopenta-1,3-dien-1-yl-N-[(2Z,7Z)-5-ethenyl-4,6-dimethylnona-2,7-dien-3-yl]hept-5-en-2-imine

C25H37N — CID 126661368

IUPAC(E)-5-cyclopenta-1,3-dien-1-yl-N-[(2Z,7Z)-5-ethenyl-4,6-dimethylnona-2,7-dien-3-yl]hept-5-en-2-imine
SMILESC=CC(C(C)/C=C\C)C(C)C(=C/C)/N=C(\C)CC/C(=C\C)C1=CC=CC1
InChIInChI=1S/C25H37N/c1-8-14-19(5)24(10-3)21(7)25(11-4)26-20(6)17-18-22(9-2)23-15-12-13-16-23/h8-15,19,21,24H,3,16-18H2,1-2,4-7H3/b14-8-,22-9+,25-11-,26-20+
InChIKeyQKDCGMLIPGVIGK-DYXVTIKZSA-N
MW351.58 g/mol
LogP7.61
Rot. Bonds10

About (E)-5-cyclopenta-1,3-dien-1-yl-N-[(2Z,7Z)-5-ethenyl-4,6-dimethylnona-2,7-dien-3-yl]hept-5-en-2-imine

(E)-5-cyclopenta-1,3-dien-1-yl-N-[(2Z,7Z)-5-ethenyl-4,6-dimethylnona-2,7-dien-3-yl]hept-5-en-2-imine (PubChem CID 126661368) has the molecular formula C25H37N and a molecular weight of 351.58 g/mol. Its IUPAC name is (E)-5-cyclopenta-1,3-dien-1-yl-N-[(2Z,7Z)-5-ethenyl-4,6-dimethylnona-2,7-dien-3-yl]hept-5-en-2-imine.

Molecular Properties

Compound Name(E)-5-cyclopenta-1,3-dien-1-yl-N-[(2Z,7Z)-5-ethenyl-4,6-dimethylnona-2,7-dien-3-yl]hept-5-en-2-imine
PubChem CID126661368
Molecular FormulaC25H37N
Molecular Weight351.58 g/mol
Exact Mass351.29
IUPAC Name(E)-5-cyclopenta-1,3-dien-1-yl-N-[(2Z,7Z)-5-ethenyl-4,6-dimethylnona-2,7-dien-3-yl]hept-5-en-2-imine
SMILESC=CC(C(C)/C=C\C)C(C)C(=C/C)/N=C(\C)CC/C(=C\C)C1=CC=CC1
InChIInChI=1S/C25H37N/c1-8-14-19(5)24(10-3)21(7)25(11-4)26-20(6)17-18-22(9-2)23-15-12-13-16-23/h8-15,19,21,24H,3,16-18H2,1-2,4-7H3/b14-8-,22-9+,25-11-,26-20+
InChIKeyQKDCGMLIPGVIGK-DYXVTIKZSA-N
XLogP7.61
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.58
LogP ≤ 57.61
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'}

Analyze (E)-5-cyclopenta-1,3-dien-1-yl-N-[(2Z,7Z)-5-ethenyl-4,6-dimethylnona-2,7-dien-3-yl]hept-5-en-2-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(7Z,9Z,11E)-8-fluoro-9-methyl-N-[(Z)-pent-2-en-3-yl]-7-propan-2-yltrideca-7,9,11-trien-3-imine
CID 174349263
(4Z,5E)-4-[(2,4-dimethylcyclobutyl)methylidene]-2,3-dimethyl-5-propylidene-3H-pyrrole
CID 89102170
2-methyl-6-[(9Z,11E,13E)-15-methyl-14-tricyclo[6.6.2.04,16]hexadeca-1,5,9,11,13-pentaenyl]-3,4-dihydropyridine
CID 89431640
6-(Cyclohepta-1,2,4,6-tetraen-1-ylmethyl)-3-methyl-2-azabicyclo[5.4.1]dodeca-1(12),2,8-triene
CID 90819050
4-ethyl-N-[(Z)-1-(4-ethylcyclohexa-1,3-dien-1-yl)prop-1-enyl]-3-methylheptan-2-imine
CID 118198532
3,3-Dimethyl-2-(3-methylhexan-2-yl)-5,6-dihydroindole
CID 123267246
4-Hepta-2,4-dien-4-yl-2-hept-1-en-2-yl-6-pent-4-enyl-3,4-dihydropyridine
CID 123287010
4-cyclopentyl-3-methyl-N-[(2E)-3-methylocta-2,4,7-trien-4-yl]butan-2-imine
CID 123388806
4,5,6-triethyl-2-[(1E)-hexa-1,4-dienyl]-3,3-dimethyl-5,6-dihydroindole
CID 123514591
2-ethyl-N-(5-ethyl-6-methyl-7-propan-2-yldodeca-2,7,10-trien-3-yl)penta-1,4-dien-1-imine
CID 123555712
3-(7-cyclohexa-1,5-dien-1-ylheptyl)-5-(2-ethylpentyl)-3,4-dihydro-2H-pyrrole
CID 129215631
3-Methyl-7-methylidene-2-(2-methyl-1-prop-1-en-2-yl-4-propylcyclohexa-2,4-dien-1-yl)-3,4,5,6-tetrahydroazepine
CID 130217036

Frequently Asked Questions

What is the IUPAC name of (E)-5-cyclopenta-1,3-dien-1-yl-N-[(2Z,7Z)-5-ethenyl-4,6-dimethylnona-2,7-dien-3-yl]hept-5-en-2-imine?
The IUPAC name of (E)-5-cyclopenta-1,3-dien-1-yl-N-[(2Z,7Z)-5-ethenyl-4,6-dimethylnona-2,7-dien-3-yl]hept-5-en-2-imine (CID 126661368) is (E)-5-cyclopenta-1,3-dien-1-yl-N-[(2Z,7Z)-5-ethenyl-4,6-dimethylnona-2,7-dien-3-yl]hept-5-en-2-imine.
What is the SMILES notation for (E)-5-cyclopenta-1,3-dien-1-yl-N-[(2Z,7Z)-5-ethenyl-4,6-dimethylnona-2,7-dien-3-yl]hept-5-en-2-imine?
The canonical SMILES for (E)-5-cyclopenta-1,3-dien-1-yl-N-[(2Z,7Z)-5-ethenyl-4,6-dimethylnona-2,7-dien-3-yl]hept-5-en-2-imine is C=CC(C(C)/C=C\C)C(C)C(=C/C)/N=C(\C)CC/C(=C\C)C1=CC=CC1.
What is the InChIKey of (E)-5-cyclopenta-1,3-dien-1-yl-N-[(2Z,7Z)-5-ethenyl-4,6-dimethylnona-2,7-dien-3-yl]hept-5-en-2-imine?
The InChIKey is QKDCGMLIPGVIGK-DYXVTIKZSA-N. The full InChI is InChI=1S/C25H37N/c1-8-14-19(5)24(10-3)21(7)25(11-4)26-20(6)17-18-22(9-2)23-15-12-13-16-23/h8-15,19,21,24H,3,16-18H2,1-2,4-7H3/b14-8-,22-9+,25-11-,26-20+.
What are the key properties of (E)-5-cyclopenta-1,3-dien-1-yl-N-[(2Z,7Z)-5-ethenyl-4,6-dimethylnona-2,7-dien-3-yl]hept-5-en-2-imine?
(E)-5-cyclopenta-1,3-dien-1-yl-N-[(2Z,7Z)-5-ethenyl-4,6-dimethylnona-2,7-dien-3-yl]hept-5-en-2-imine has a molecular weight of 351.58 g/mol, XLogP of 7.61, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-cyclopenta-1,3-dien-1-yl-N-[(2Z,7Z)-5-ethenyl-4,6-dimethylnona-2,7-dien-3-yl]hept-5-en-2-imine is sourced from PubChem (CID 126661368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).