2-cyclohexa-1,5-dien-1-yl-6,6-dimethylcyclohept-2-ene-1,4-diimine

C15H20N2 — CID 90793702

IUPAC2-cyclohexa-1,5-dien-1-yl-6,6-dimethylcyclohept-2-ene-1,4-diimine
SMILES[H]/N=C1/C=C(C2=CCCC=C2)/C(=N/[H])CC(C)(C)C1
InChIInChI=1S/C15H20N2/c1-15(2)9-12(16)8-13(14(17)10-15)11-6-4-3-5-7-11/h4,6-8,16-17H,3,5,9-10H2,1-2H3/b16-12-,17-14+
InChIKeyVOSGLPQZPCCZHD-CCMYLADUSA-N
MW228.34 g/mol
LogP4.05
Rot. Bonds1

About 2-cyclohexa-1,5-dien-1-yl-6,6-dimethylcyclohept-2-ene-1,4-diimine

2-cyclohexa-1,5-dien-1-yl-6,6-dimethylcyclohept-2-ene-1,4-diimine (PubChem CID 90793702) has the molecular formula C15H20N2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 2-cyclohexa-1,5-dien-1-yl-6,6-dimethylcyclohept-2-ene-1,4-diimine.

Molecular Properties

Compound Name2-cyclohexa-1,5-dien-1-yl-6,6-dimethylcyclohept-2-ene-1,4-diimine
PubChem CID90793702
Molecular FormulaC15H20N2
Molecular Weight228.34 g/mol
Exact Mass228.16
IUPAC Name2-cyclohexa-1,5-dien-1-yl-6,6-dimethylcyclohept-2-ene-1,4-diimine
SMILES[H]/N=C1/C=C(C2=CCCC=C2)/C(=N/[H])CC(C)(C)C1
InChIInChI=1S/C15H20N2/c1-15(2)9-12(16)8-13(14(17)10-15)11-6-4-3-5-7-11/h4,6-8,16-17H,3,5,9-10H2,1-2H3/b16-12-,17-14+
InChIKeyVOSGLPQZPCCZHD-CCMYLADUSA-N
XLogP4.05
TPSA47.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(6Z)-10-(4-fluoro-6-methylcyclohexa-1,3-dien-1-yl)undeca-1,6-dien-5-imine
CID 153399956
2,6-Di(propan-2-yl)cyclohexa-2,4-dien-1-imine
CID 17962987
2-Tert-butylcyclohexa-2,4-dien-1-imine
CID 18786242
2-(2-Methylpentan-2-yl)cyclohexa-2,5-diene-1,4-diimine
CID 56977683
2-Cyclohex-2-en-1-yl-2,4-dimethylhexan-3-imine
CID 58555275
Azane;3,5,5-trimethylcyclohex-2-en-1-imine
CID 69864880
2-Heptan-2-ylcyclohexa-2,5-diene-1,4-diimine
CID 69973378
(4R)-2-[(1S)-cyclohex-2-en-1-yl]-2,4-dimethylhexan-3-imine
CID 87279105
(4S)-2-cyclohex-2-en-1-yl-2,4-dimethylhexan-3-imine
CID 87279106
(6Z)-2-ethyl-6-[(Z)-2-ethylbut-2-enylidene]cyclohexan-1-imine
CID 87690054
1-(2,5-Dimethylcyclohexa-1,3-dien-1-yl)butan-1-imine
CID 88907679
(3Z)-4,6,8,8-tetramethylnona-1,3-dien-5-imine
CID 90880737

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexa-1,5-dien-1-yl-6,6-dimethylcyclohept-2-ene-1,4-diimine?
The IUPAC name of 2-cyclohexa-1,5-dien-1-yl-6,6-dimethylcyclohept-2-ene-1,4-diimine (CID 90793702) is 2-cyclohexa-1,5-dien-1-yl-6,6-dimethylcyclohept-2-ene-1,4-diimine.
What is the SMILES notation for 2-cyclohexa-1,5-dien-1-yl-6,6-dimethylcyclohept-2-ene-1,4-diimine?
The canonical SMILES for 2-cyclohexa-1,5-dien-1-yl-6,6-dimethylcyclohept-2-ene-1,4-diimine is [H]/N=C1/C=C(C2=CCCC=C2)/C(=N/[H])CC(C)(C)C1.
What is the InChIKey of 2-cyclohexa-1,5-dien-1-yl-6,6-dimethylcyclohept-2-ene-1,4-diimine?
The InChIKey is VOSGLPQZPCCZHD-CCMYLADUSA-N. The full InChI is InChI=1S/C15H20N2/c1-15(2)9-12(16)8-13(14(17)10-15)11-6-4-3-5-7-11/h4,6-8,16-17H,3,5,9-10H2,1-2H3/b16-12-,17-14+.
What are the key properties of 2-cyclohexa-1,5-dien-1-yl-6,6-dimethylcyclohept-2-ene-1,4-diimine?
2-cyclohexa-1,5-dien-1-yl-6,6-dimethylcyclohept-2-ene-1,4-diimine has a molecular weight of 228.34 g/mol, XLogP of 4.05, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexa-1,5-dien-1-yl-6,6-dimethylcyclohept-2-ene-1,4-diimine is sourced from PubChem (CID 90793702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).