1-N,2-N,5-trimethyl-3,6-bis[(2E,4E)-5,6,6-trimethylocta-2,4-dien-2-yl]cyclohex-3-ene-1,2-diimine

C31H50N2 — CID 143392002

IUPAC1-N,2-N,5-trimethyl-3,6-bis[(2E,4E)-5,6,6-trimethylocta-2,4-dien-2-yl]cyclohex-3-ene-1,2-diimine
SMILESCCC(C)(C)/C(C)=C/C=C(\C)C1=CC(C)C(/C(C)=C/C=C(\C)C(C)(C)CC)C(=N/C)/C1=N/C
InChIInChI=1S/C31H50N2/c1-14-30(8,9)24(6)18-16-21(3)26-20-23(5)27(29(33-13)28(26)32-12)22(4)17-19-25(7)31(10,11)15-2/h16-20,23,27H,14-15H2,1-13H3/b21-16+,22-17+,24-18+,25-19+,32-28+,33-29-
InChIKeyIQXXAMBZHPBTJT-KDOPAVTQSA-N
MW450.76 g/mol
LogP8.98
Rot. Bonds8

About 1-N,2-N,5-trimethyl-3,6-bis[(2E,4E)-5,6,6-trimethylocta-2,4-dien-2-yl]cyclohex-3-ene-1,2-diimine

1-N,2-N,5-trimethyl-3,6-bis[(2E,4E)-5,6,6-trimethylocta-2,4-dien-2-yl]cyclohex-3-ene-1,2-diimine (PubChem CID 143392002) has the molecular formula C31H50N2 and a molecular weight of 450.76 g/mol. Its IUPAC name is 1-N,2-N,5-trimethyl-3,6-bis[(2E,4E)-5,6,6-trimethylocta-2,4-dien-2-yl]cyclohex-3-ene-1,2-diimine.

Molecular Properties

Compound Name1-N,2-N,5-trimethyl-3,6-bis[(2E,4E)-5,6,6-trimethylocta-2,4-dien-2-yl]cyclohex-3-ene-1,2-diimine
PubChem CID143392002
Molecular FormulaC31H50N2
Molecular Weight450.76 g/mol
Exact Mass450.40
IUPAC Name1-N,2-N,5-trimethyl-3,6-bis[(2E,4E)-5,6,6-trimethylocta-2,4-dien-2-yl]cyclohex-3-ene-1,2-diimine
SMILESCCC(C)(C)/C(C)=C/C=C(\C)C1=CC(C)C(/C(C)=C/C=C(\C)C(C)(C)CC)C(=N/C)/C1=N/C
InChIInChI=1S/C31H50N2/c1-14-30(8,9)24(6)18-16-21(3)26-20-23(5)27(29(33-13)28(26)32-12)22(4)17-19-25(7)31(10,11)15-2/h16-20,23,27H,14-15H2,1-13H3/b21-16+,22-17+,24-18+,25-19+,32-28+,33-29-
InChIKeyIQXXAMBZHPBTJT-KDOPAVTQSA-N
XLogP8.98
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.76
LogP ≤ 58.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 1-N,2-N,5-trimethyl-3,6-bis[(2E,4E)-5,6,6-trimethylocta-2,4-dien-2-yl]cyclohex-3-ene-1,2-diimine 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

(3E,10Z)-8-ethyl-14-fluoro-5,10-dimethyl-3-[(3Z)-2-methylhepta-1,3,6-trien-3-yl]-7-methylidene-N-prop-2-enyl-8-propyltetradeca-3,10-dien-2-imine
CID 167265238
6-(3,4-Dimethyl-3-propan-2-ylpent-4-enyl)-5-(trifluoromethyl)-2,3-dihydropyridine
CID 153339001
N-methyl-3,4-di(propan-2-yl)cyclohex-2-en-1-imine
CID 20631046
3-[2,3-dimethyl-4-(2-methyl-3-methyliminobutan-2-yl)cyclopenta-1,3-dien-1-yl]-N,3-dimethylbutan-2-imine
CID 20681059
N,4a,5-trimethyl-3-prop-1-en-2-yl-2,3,4,5,6,7-hexahydronaphthalen-1-imine
CID 58587127
3-[(2E,4E)-5,6-dimethylhepta-2,4-dien-2-yl]-1-N,2-N-dimethyl-6-[(2E,4E)-5,6,6-trimethylhepta-2,4-dien-2-yl]cyclohexa-3,5-diene-1,2-diimine
CID 87085215
1-N,2-N-dimethyl-3,6-bis[(2E,4E)-5,6,6-trimethylhepta-2,4-dien-2-yl]cyclohexa-3,5-diene-1,2-diimine
CID 88553588
1-N,2-N,4,5-tetramethyl-3,6-bis[(2E,4E)-5,6,6-trimethylocta-2,4-dien-2-yl]cyclohexa-3,5-diene-1,2-diimine
CID 88556051
3-[(E,4E)-4-(3,3-dimethylpentan-2-ylidene)dec-2-en-2-yl]-1-N,2-N-dimethyl-6-[(E,4E)-4-(3-methylbutan-2-ylidene)dec-2-en-2-yl]cyclohexa-3,5-diene-1,2-diimine
CID 88556143
3-[(E,4E)-4-(3,3-dimethylbutan-2-ylidene)dec-2-en-2-yl]-6-[(E,4E)-4-(3,3-dimethylpentan-2-ylidene)dec-2-en-2-yl]-1-N,2-N-dimethylcyclohexa-3,5-diene-1,2-diimine
CID 88556771
2-[(3E)-4,5-dimethylhexa-3,5-dien-2-yl]-5-ethyl-3,3,4,4-tetramethyl-2H-pyrrole
CID 88589153
3-[(2E,4E)-5,6-dimethylhepta-2,4-dien-2-yl]-1-N,2-N-dimethyl-6-[(2E,4E)-5,6,6-trimethylocta-2,4-dien-2-yl]cyclohexa-3,5-diene-1,2-diimine
CID 88673397

Frequently Asked Questions

What is the IUPAC name of 1-N,2-N,5-trimethyl-3,6-bis[(2E,4E)-5,6,6-trimethylocta-2,4-dien-2-yl]cyclohex-3-ene-1,2-diimine?
The IUPAC name of 1-N,2-N,5-trimethyl-3,6-bis[(2E,4E)-5,6,6-trimethylocta-2,4-dien-2-yl]cyclohex-3-ene-1,2-diimine (CID 143392002) is 1-N,2-N,5-trimethyl-3,6-bis[(2E,4E)-5,6,6-trimethylocta-2,4-dien-2-yl]cyclohex-3-ene-1,2-diimine.
What is the SMILES notation for 1-N,2-N,5-trimethyl-3,6-bis[(2E,4E)-5,6,6-trimethylocta-2,4-dien-2-yl]cyclohex-3-ene-1,2-diimine?
The canonical SMILES for 1-N,2-N,5-trimethyl-3,6-bis[(2E,4E)-5,6,6-trimethylocta-2,4-dien-2-yl]cyclohex-3-ene-1,2-diimine is CCC(C)(C)/C(C)=C/C=C(\C)C1=CC(C)C(/C(C)=C/C=C(\C)C(C)(C)CC)C(=N/C)/C1=N/C.
What is the InChIKey of 1-N,2-N,5-trimethyl-3,6-bis[(2E,4E)-5,6,6-trimethylocta-2,4-dien-2-yl]cyclohex-3-ene-1,2-diimine?
The InChIKey is IQXXAMBZHPBTJT-KDOPAVTQSA-N. The full InChI is InChI=1S/C31H50N2/c1-14-30(8,9)24(6)18-16-21(3)26-20-23(5)27(29(33-13)28(26)32-12)22(4)17-19-25(7)31(10,11)15-2/h16-20,23,27H,14-15H2,1-13H3/b21-16+,22-17+,24-18+,25-19+,32-28+,33-29-.
What are the key properties of 1-N,2-N,5-trimethyl-3,6-bis[(2E,4E)-5,6,6-trimethylocta-2,4-dien-2-yl]cyclohex-3-ene-1,2-diimine?
1-N,2-N,5-trimethyl-3,6-bis[(2E,4E)-5,6,6-trimethylocta-2,4-dien-2-yl]cyclohex-3-ene-1,2-diimine has a molecular weight of 450.76 g/mol, XLogP of 8.98, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,2-N,5-trimethyl-3,6-bis[(2E,4E)-5,6,6-trimethylocta-2,4-dien-2-yl]cyclohex-3-ene-1,2-diimine is sourced from PubChem (CID 143392002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).