(5E)-6-methyl-7-(4-methylcyclohepta-1,3,6-trien-1-yl)octa-1,5-dien-3-imine

C17H23N — CID 123633438

IUPAC(5E)-6-methyl-7-(4-methylcyclohepta-1,3,6-trien-1-yl)octa-1,5-dien-3-imine
SMILES[H]/N=C(\C=C)C/C=C(\C)C(C)C1=CC=C(C)CC=C1
InChIInChI=1S/C17H23N/c1-5-17(18)12-10-14(3)15(4)16-8-6-7-13(2)9-11-16/h5-6,8-11,15,18H,1,7,12H2,2-4H3/b14-10+,18-17+
InChIKeyDXBMSNVHNRCPOU-HXGVTVJWSA-N
MW241.38 g/mol
LogP5.00
Rot. Bonds5

About (5E)-6-methyl-7-(4-methylcyclohepta-1,3,6-trien-1-yl)octa-1,5-dien-3-imine

(5E)-6-methyl-7-(4-methylcyclohepta-1,3,6-trien-1-yl)octa-1,5-dien-3-imine (PubChem CID 123633438) has the molecular formula C17H23N and a molecular weight of 241.38 g/mol. Its IUPAC name is (5E)-6-methyl-7-(4-methylcyclohepta-1,3,6-trien-1-yl)octa-1,5-dien-3-imine.

Molecular Properties

Compound Name(5E)-6-methyl-7-(4-methylcyclohepta-1,3,6-trien-1-yl)octa-1,5-dien-3-imine
PubChem CID123633438
Molecular FormulaC17H23N
Molecular Weight241.38 g/mol
Exact Mass241.18
IUPAC Name(5E)-6-methyl-7-(4-methylcyclohepta-1,3,6-trien-1-yl)octa-1,5-dien-3-imine
SMILES[H]/N=C(\C=C)C/C=C(\C)C(C)C1=CC=C(C)CC=C1
InChIInChI=1S/C17H23N/c1-5-17(18)12-10-14(3)15(4)16-8-6-7-13(2)9-11-16/h5-6,8-11,15,18H,1,7,12H2,2-4H3/b14-10+,18-17+
InChIKeyDXBMSNVHNRCPOU-HXGVTVJWSA-N
XLogP5.00
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (5E)-6-methyl-7-(4-methylcyclohepta-1,3,6-trien-1-yl)octa-1,5-dien-3-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

1-Ethyl-2-imino-3,5-cyclohexadiene
CID 85894878
3-[[2-(2-Fluoropropan-2-yl)-4,6,7-trimethylcyclohepta-1,3,6-trien-1-yl]methylidene]hexan-2-imine
CID 91334136
(5Z,7E)-8-fluoro-3-methylnona-5,7-dien-4-imine
CID 123873008
1-[5-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-6-(trifluoromethyl)cyclohepta-1,6-dien-1-yl]ethanimine
CID 135190461
(2Z,4E,8E)-5-fluoro-6-methylidenetrideca-2,4,8-trien-7-imine
CID 155049255
2,4,6-Trimethylcyclohexa-2,4-dien-1-imine
CID 18538402
4a,8-Dihydrobenzo[7]annulen-7-imine
CID 57269660
2,6-Dimethylcyclohexa-2,4-dien-1-imine
CID 66847916
4-Propan-2-ylcyclohexa-3,5-diene-1,2-diimine
CID 68028429
1-(4-Ethylcyclohexa-2,4-dien-1-yl)ethanimine
CID 88946462
(4Z,6Z)-6-ethylocta-4,6-dien-3-imine
CID 89145523
(E)-7-ethenyl-4-methyl-8-propyldodec-6-en-3-imine
CID 89196812

Frequently Asked Questions

What is the IUPAC name of (5E)-6-methyl-7-(4-methylcyclohepta-1,3,6-trien-1-yl)octa-1,5-dien-3-imine?
The IUPAC name of (5E)-6-methyl-7-(4-methylcyclohepta-1,3,6-trien-1-yl)octa-1,5-dien-3-imine (CID 123633438) is (5E)-6-methyl-7-(4-methylcyclohepta-1,3,6-trien-1-yl)octa-1,5-dien-3-imine.
What is the SMILES notation for (5E)-6-methyl-7-(4-methylcyclohepta-1,3,6-trien-1-yl)octa-1,5-dien-3-imine?
The canonical SMILES for (5E)-6-methyl-7-(4-methylcyclohepta-1,3,6-trien-1-yl)octa-1,5-dien-3-imine is [H]/N=C(\C=C)C/C=C(\C)C(C)C1=CC=C(C)CC=C1.
What is the InChIKey of (5E)-6-methyl-7-(4-methylcyclohepta-1,3,6-trien-1-yl)octa-1,5-dien-3-imine?
The InChIKey is DXBMSNVHNRCPOU-HXGVTVJWSA-N. The full InChI is InChI=1S/C17H23N/c1-5-17(18)12-10-14(3)15(4)16-8-6-7-13(2)9-11-16/h5-6,8-11,15,18H,1,7,12H2,2-4H3/b14-10+,18-17+.
What are the key properties of (5E)-6-methyl-7-(4-methylcyclohepta-1,3,6-trien-1-yl)octa-1,5-dien-3-imine?
(5E)-6-methyl-7-(4-methylcyclohepta-1,3,6-trien-1-yl)octa-1,5-dien-3-imine has a molecular weight of 241.38 g/mol, XLogP of 5.00, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-6-methyl-7-(4-methylcyclohepta-1,3,6-trien-1-yl)octa-1,5-dien-3-imine is sourced from PubChem (CID 123633438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).