(Z)-3,5,5-trimethyl-N-[(E)-(3,5,5-trimethylcyclohex-2-en-1-ylidene)amino]cyclohex-2-en-1-imine

C18H28N2 — CID 6174049

IUPAC(Z)-3,5,5-trimethyl-N-[(E)-(3,5,5-trimethylcyclohex-2-en-1-ylidene)amino]cyclohex-2-en-1-imine
SMILESCC1=C/C(=N\N=C2\C=C(C)CC(C)(C)C2)CC(C)(C)C1
InChIInChI=1S/C18H28N2/c1-13-7-15(11-17(3,4)9-13)19-20-16-8-14(2)10-18(5,6)12-16/h7-8H,9-12H2,1-6H3/b19-15-,20-16+
InChIKeyXJEYYLXANADAGE-VBGLAJCLSA-N
MW272.44 g/mol
LogP5.32
Rot. Bonds1

About (Z)-3,5,5-trimethyl-N-[(E)-(3,5,5-trimethylcyclohex-2-en-1-ylidene)amino]cyclohex-2-en-1-imine

(Z)-3,5,5-trimethyl-N-[(E)-(3,5,5-trimethylcyclohex-2-en-1-ylidene)amino]cyclohex-2-en-1-imine (PubChem CID 6174049) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is (Z)-3,5,5-trimethyl-N-[(E)-(3,5,5-trimethylcyclohex-2-en-1-ylidene)amino]cyclohex-2-en-1-imine.

Molecular Properties

Compound Name(Z)-3,5,5-trimethyl-N-[(E)-(3,5,5-trimethylcyclohex-2-en-1-ylidene)amino]cyclohex-2-en-1-imine
PubChem CID6174049
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC Name(Z)-3,5,5-trimethyl-N-[(E)-(3,5,5-trimethylcyclohex-2-en-1-ylidene)amino]cyclohex-2-en-1-imine
SMILESCC1=C/C(=N\N=C2\C=C(C)CC(C)(C)C2)CC(C)(C)C1
InChIInChI=1S/C18H28N2/c1-13-7-15(11-17(3,4)9-13)19-20-16-8-14(2)10-18(5,6)12-16/h7-8H,9-12H2,1-6H3/b19-15-,20-16+
InChIKeyXJEYYLXANADAGE-VBGLAJCLSA-N
XLogP5.32
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.44
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (Z)-3,5,5-trimethyl-N-[(E)-(3,5,5-trimethylcyclohex-2-en-1-ylidene)amino]cyclohex-2-en-1-imine with MolForge

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Related Compounds

1,2-Bis(3,5,5-trimethyl-2-cyclohexenylidene)hydrazine
CID 6386641
3,5,5-trimethyl-N-[5-[(3,5,5-trimethylcyclohex-2-en-1-ylidene)amino]pentyl]cyclohex-2-en-1-imine
CID 141295656
Dimethyl-[(3,5,5-trimethyl-1-cyclohex-2-enylidene)amino]-amine
CID 12469007
N,2,5,5-tetramethylcyclohex-2-en-1-imine
CID 86038796
Carvone hydrazone
CID 129821701
4H-1,2-Diazepine, 3,7-bis(1,1-dimethylethyl)-5-methyl-
CID 3566905
3,5,5-trimethyl-N-[(3,5,5-trimethylcyclohex-2-en-1-ylidene)amino]cyclohex-2-en-1-imine
CID 240328
3,5,5-Trimethyl-2-cyclohexen-1-imine
CID 12562470
(Z)-N-[(Z)-(3,5-dimethylcyclohex-2-en-1-ylidene)amino]-3,5-dimethylcyclohex-2-en-1-imine
CID 22824294
N-[(3,5-dimethylcyclohex-2-en-1-ylidene)amino]-3,5-dimethylcyclohex-2-en-1-imine
CID 56639224
2-(2-Methylpentan-2-yl)cyclohexa-2,5-diene-1,4-diimine
CID 56977683
3-[(3-Cyano-5,5-dimethylcyclohex-2-en-1-ylidene)hydrazinylidene]-5,5-dimethylcyclohexene-1-carbonitrile
CID 68879593

Frequently Asked Questions

What is the IUPAC name of (Z)-3,5,5-trimethyl-N-[(E)-(3,5,5-trimethylcyclohex-2-en-1-ylidene)amino]cyclohex-2-en-1-imine?
The IUPAC name of (Z)-3,5,5-trimethyl-N-[(E)-(3,5,5-trimethylcyclohex-2-en-1-ylidene)amino]cyclohex-2-en-1-imine (CID 6174049) is (Z)-3,5,5-trimethyl-N-[(E)-(3,5,5-trimethylcyclohex-2-en-1-ylidene)amino]cyclohex-2-en-1-imine.
What is the SMILES notation for (Z)-3,5,5-trimethyl-N-[(E)-(3,5,5-trimethylcyclohex-2-en-1-ylidene)amino]cyclohex-2-en-1-imine?
The canonical SMILES for (Z)-3,5,5-trimethyl-N-[(E)-(3,5,5-trimethylcyclohex-2-en-1-ylidene)amino]cyclohex-2-en-1-imine is CC1=C/C(=N\N=C2\C=C(C)CC(C)(C)C2)CC(C)(C)C1.
What is the InChIKey of (Z)-3,5,5-trimethyl-N-[(E)-(3,5,5-trimethylcyclohex-2-en-1-ylidene)amino]cyclohex-2-en-1-imine?
The InChIKey is XJEYYLXANADAGE-VBGLAJCLSA-N. The full InChI is InChI=1S/C18H28N2/c1-13-7-15(11-17(3,4)9-13)19-20-16-8-14(2)10-18(5,6)12-16/h7-8H,9-12H2,1-6H3/b19-15-,20-16+.
What are the key properties of (Z)-3,5,5-trimethyl-N-[(E)-(3,5,5-trimethylcyclohex-2-en-1-ylidene)amino]cyclohex-2-en-1-imine?
(Z)-3,5,5-trimethyl-N-[(E)-(3,5,5-trimethylcyclohex-2-en-1-ylidene)amino]cyclohex-2-en-1-imine has a molecular weight of 272.44 g/mol, XLogP of 5.32, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3,5,5-trimethyl-N-[(E)-(3,5,5-trimethylcyclohex-2-en-1-ylidene)amino]cyclohex-2-en-1-imine is sourced from PubChem (CID 6174049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).