8-methyl-9-(5-methyl-3-prop-2-enylcycloocta-1,3-dien-1-yl)-N-propylnon-7-en-2-imine

C25H41N — CID 123223023

IUPAC8-methyl-9-(5-methyl-3-prop-2-enylcycloocta-1,3-dien-1-yl)-N-propylnon-7-en-2-imine
SMILESC=CCC1=CC(C)CCCC(CC(C)=CCCCC/C(C)=N/CCC)=C1
InChIInChI=1S/C25H41N/c1-6-12-24-18-22(4)14-11-16-25(20-24)19-21(3)13-9-8-10-15-23(5)26-17-7-2/h6,13,18,20,22H,1,7-12,14-17,19H2,2-5H3/b21-13?,24-18?,25-20?,26-23+
InChIKeyDJLYXYWOYUGCNY-ZSPJVCTNSA-N
MW355.61 g/mol
LogP8.00
Rot. Bonds11

About 8-methyl-9-(5-methyl-3-prop-2-enylcycloocta-1,3-dien-1-yl)-N-propylnon-7-en-2-imine

8-methyl-9-(5-methyl-3-prop-2-enylcycloocta-1,3-dien-1-yl)-N-propylnon-7-en-2-imine (PubChem CID 123223023) has the molecular formula C25H41N and a molecular weight of 355.61 g/mol. Its IUPAC name is 8-methyl-9-(5-methyl-3-prop-2-enylcycloocta-1,3-dien-1-yl)-N-propylnon-7-en-2-imine.

Molecular Properties

Compound Name8-methyl-9-(5-methyl-3-prop-2-enylcycloocta-1,3-dien-1-yl)-N-propylnon-7-en-2-imine
PubChem CID123223023
Molecular FormulaC25H41N
Molecular Weight355.61 g/mol
Exact Mass355.32
IUPAC Name8-methyl-9-(5-methyl-3-prop-2-enylcycloocta-1,3-dien-1-yl)-N-propylnon-7-en-2-imine
SMILESC=CCC1=CC(C)CCCC(CC(C)=CCCCC/C(C)=N/CCC)=C1
InChIInChI=1S/C25H41N/c1-6-12-24-18-22(4)14-11-16-25(20-24)19-21(3)13-9-8-10-15-23(5)26-17-7-2/h6,13,18,20,22H,1,7-12,14-17,19H2,2-5H3/b21-13?,24-18?,25-20?,26-23+
InChIKeyDJLYXYWOYUGCNY-ZSPJVCTNSA-N
XLogP8.00
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.61
LogP ≤ 58.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 8-methyl-9-(5-methyl-3-prop-2-enylcycloocta-1,3-dien-1-yl)-N-propylnon-7-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

Lanopylin A1
CID 9883534
5-Methyl-4-(15-methylhexadecylidene)-3,4-dihydro-2H-pyrrole
CID 71374075
Lanopylin A2
CID 11427950
(4Z)-5-methyl-4-(15-methylhexadecylidene)-2,3-dihydropyrrole
CID 20732637
5-Methyl-4-(17-methyloctadec-12-enylidene)-2,3-dihydropyrrole
CID 72957572
(3E,5E,7E)-2-[(Z)-3-butyl-2-propylhept-1-enyl]-6-ethyl-7-fluoroazocine
CID 142120902
(5Z)-3-ethenyl-8-[(5E,7E)-5-fluoro-2,12-dimethyltrideca-1,3,5,7-tetraen-7-yl]-2,3,4,7-tetrahydroazocine
CID 169948391
(5Z,7E)-N-ethyl-8-fluoro-2,4-dimethyl-5-(2-methylbutyl)nona-5,7-dien-3-imine
CID 170260209
(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
(8E,10Z)-6-ethyl-9-fluoro-N,7-dimethyldodeca-8,10-dien-5-imine
CID 143491167
(8E,10Z)-6-ethyl-9-fluoro-N-methyl-7-methylidenedodeca-8,10-dien-5-imine
CID 143491216
(4S)-5-methyl-4-[(Z)-tridec-5-enyl]-3,4-dihydro-2H-pyrrole
CID 162967188

Frequently Asked Questions

What is the IUPAC name of 8-methyl-9-(5-methyl-3-prop-2-enylcycloocta-1,3-dien-1-yl)-N-propylnon-7-en-2-imine?
The IUPAC name of 8-methyl-9-(5-methyl-3-prop-2-enylcycloocta-1,3-dien-1-yl)-N-propylnon-7-en-2-imine (CID 123223023) is 8-methyl-9-(5-methyl-3-prop-2-enylcycloocta-1,3-dien-1-yl)-N-propylnon-7-en-2-imine.
What is the SMILES notation for 8-methyl-9-(5-methyl-3-prop-2-enylcycloocta-1,3-dien-1-yl)-N-propylnon-7-en-2-imine?
The canonical SMILES for 8-methyl-9-(5-methyl-3-prop-2-enylcycloocta-1,3-dien-1-yl)-N-propylnon-7-en-2-imine is C=CCC1=CC(C)CCCC(CC(C)=CCCCC/C(C)=N/CCC)=C1.
What is the InChIKey of 8-methyl-9-(5-methyl-3-prop-2-enylcycloocta-1,3-dien-1-yl)-N-propylnon-7-en-2-imine?
The InChIKey is DJLYXYWOYUGCNY-ZSPJVCTNSA-N. The full InChI is InChI=1S/C25H41N/c1-6-12-24-18-22(4)14-11-16-25(20-24)19-21(3)13-9-8-10-15-23(5)26-17-7-2/h6,13,18,20,22H,1,7-12,14-17,19H2,2-5H3/b21-13?,24-18?,25-20?,26-23+.
What are the key properties of 8-methyl-9-(5-methyl-3-prop-2-enylcycloocta-1,3-dien-1-yl)-N-propylnon-7-en-2-imine?
8-methyl-9-(5-methyl-3-prop-2-enylcycloocta-1,3-dien-1-yl)-N-propylnon-7-en-2-imine has a molecular weight of 355.61 g/mol, XLogP of 8.00, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-9-(5-methyl-3-prop-2-enylcycloocta-1,3-dien-1-yl)-N-propylnon-7-en-2-imine is sourced from PubChem (CID 123223023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).