1-cyclohexa-1,5-dien-1-yl-3-(6,6-dimethylcyclohexa-2,4-dien-1-yl)-2-methylbutan-1-imine

C19H27N — CID 123649611

IUPAC1-cyclohexa-1,5-dien-1-yl-3-(6,6-dimethylcyclohexa-2,4-dien-1-yl)-2-methylbutan-1-imine
SMILES[H]/N=C(\C1=CCCC=C1)C(C)C(C)C1C=CC=CC1(C)C
InChIInChI=1S/C19H27N/c1-14(17-12-8-9-13-19(17,3)4)15(2)18(20)16-10-6-5-7-11-16/h6,8-15,17,20H,5,7H2,1-4H3/b20-18-
InChIKeyOHTCJLVUHGYGGY-ZZEZOPTASA-N
MW269.43 g/mol
LogP5.32
Rot. Bonds4

About 1-cyclohexa-1,5-dien-1-yl-3-(6,6-dimethylcyclohexa-2,4-dien-1-yl)-2-methylbutan-1-imine

1-cyclohexa-1,5-dien-1-yl-3-(6,6-dimethylcyclohexa-2,4-dien-1-yl)-2-methylbutan-1-imine (PubChem CID 123649611) has the molecular formula C19H27N and a molecular weight of 269.43 g/mol. Its IUPAC name is 1-cyclohexa-1,5-dien-1-yl-3-(6,6-dimethylcyclohexa-2,4-dien-1-yl)-2-methylbutan-1-imine.

Molecular Properties

Compound Name1-cyclohexa-1,5-dien-1-yl-3-(6,6-dimethylcyclohexa-2,4-dien-1-yl)-2-methylbutan-1-imine
PubChem CID123649611
Molecular FormulaC19H27N
Molecular Weight269.43 g/mol
Exact Mass269.21
IUPAC Name1-cyclohexa-1,5-dien-1-yl-3-(6,6-dimethylcyclohexa-2,4-dien-1-yl)-2-methylbutan-1-imine
SMILES[H]/N=C(\C1=CCCC=C1)C(C)C(C)C1C=CC=CC1(C)C
InChIInChI=1S/C19H27N/c1-14(17-12-8-9-13-19(17,3)4)15(2)18(20)16-10-6-5-7-11-16/h6,8-15,17,20H,5,7H2,1-4H3/b20-18-
InChIKeyOHTCJLVUHGYGGY-ZZEZOPTASA-N
XLogP5.32
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500269.43
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-butan-2-ylidene-6-ethyl-9-[2-[6-(3-fluoro-2-methylpenta-1,4-dien-3-yl)-2H-borepin-3-yl]ethyl]-9,10-dimethyldodec-1-en-3-imine
CID 91266149
(E,7R)-7-[(3aS,4E,7aS)-4-[(2Z)-2-[(3S)-3-fluoro-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-3a,5,6,7-tetrahydro-3H-inden-1-yl]-2,2-dimethyloct-4-en-3-imine
CID 143315952
(6Z)-10-(4-fluoro-6-methylcyclohexa-1,3-dien-1-yl)undeca-1,6-dien-5-imine
CID 153399956
(2Z)-1-[4,6-difluoro-6-methyl-2-(1-methyl-2-methylidenecyclopropyl)cyclohexa-2,4-dien-1-yl]penta-2,4-dien-1-imine
CID 163505329
(2E)-2-[(Z)-3-fluoro-2-methylprop-1-enyl]-3-methyl-1-(2-methyl-2-propylcyclopentyl)penta-2,4-dien-1-imine
CID 166662523
6-(2-Iminocyclohexyl)cyclohexa-2,4-dien-1-imine
CID 134859228
(6Z,8Z)-10-ethyl-2-fluoro-4,6-dimethyl-10,10a-dihydro-1H-benzo[8]annulen-5-imine
CID 142313968
3-[(Z)-3-cycloprop-2-en-1-ylidene-3-fluoro-2-methylprop-1-enyl]-4,4,5-trimethyl-8-pent-2-enyl-7,8-dihydronaphthalen-1-imine
CID 144805589
4-[(3E,7E)-7-[3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]nona-3,7-dien-2-yl]cyclohex-3-en-1-imine
CID 162546879
2,6-Di(propan-2-yl)cyclohexa-2,4-dien-1-imine
CID 17962987
(8Z,10Z)-tricyclo[10.4.0.03,8]hexadeca-1(16),4,6,8,10,14-hexaen-2-imine
CID 23051203
Tricyclo[10.4.0.04,9]hexadeca-1(16),6,8,10,14-pentaen-2-imine
CID 56995744

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexa-1,5-dien-1-yl-3-(6,6-dimethylcyclohexa-2,4-dien-1-yl)-2-methylbutan-1-imine?
The IUPAC name of 1-cyclohexa-1,5-dien-1-yl-3-(6,6-dimethylcyclohexa-2,4-dien-1-yl)-2-methylbutan-1-imine (CID 123649611) is 1-cyclohexa-1,5-dien-1-yl-3-(6,6-dimethylcyclohexa-2,4-dien-1-yl)-2-methylbutan-1-imine.
What is the SMILES notation for 1-cyclohexa-1,5-dien-1-yl-3-(6,6-dimethylcyclohexa-2,4-dien-1-yl)-2-methylbutan-1-imine?
The canonical SMILES for 1-cyclohexa-1,5-dien-1-yl-3-(6,6-dimethylcyclohexa-2,4-dien-1-yl)-2-methylbutan-1-imine is [H]/N=C(\C1=CCCC=C1)C(C)C(C)C1C=CC=CC1(C)C.
What is the InChIKey of 1-cyclohexa-1,5-dien-1-yl-3-(6,6-dimethylcyclohexa-2,4-dien-1-yl)-2-methylbutan-1-imine?
The InChIKey is OHTCJLVUHGYGGY-ZZEZOPTASA-N. The full InChI is InChI=1S/C19H27N/c1-14(17-12-8-9-13-19(17,3)4)15(2)18(20)16-10-6-5-7-11-16/h6,8-15,17,20H,5,7H2,1-4H3/b20-18-.
What are the key properties of 1-cyclohexa-1,5-dien-1-yl-3-(6,6-dimethylcyclohexa-2,4-dien-1-yl)-2-methylbutan-1-imine?
1-cyclohexa-1,5-dien-1-yl-3-(6,6-dimethylcyclohexa-2,4-dien-1-yl)-2-methylbutan-1-imine has a molecular weight of 269.43 g/mol, XLogP of 5.32, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexa-1,5-dien-1-yl-3-(6,6-dimethylcyclohexa-2,4-dien-1-yl)-2-methylbutan-1-imine is sourced from PubChem (CID 123649611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).