(6Z)-6-(4,4-dimethyl-2-methylidenehexylidene)-3-(2,2-dimethylpropyl)-N-ethenylcyclohexa-2,4-dien-1-imine

C22H33N — CID 134266799

IUPAC(6Z)-6-(4,4-dimethyl-2-methylidenehexylidene)-3-(2,2-dimethylpropyl)-N-ethenylcyclohexa-2,4-dien-1-imine
SMILESC=C/N=C1\C=C(CC(C)(C)C)C=C\C1=C\C(=C)CC(C)(C)CC
InChIInChI=1S/C22H33N/c1-9-22(7,8)15-17(3)13-19-12-11-18(16-21(4,5)6)14-20(19)23-10-2/h10-14H,2-3,9,15-16H2,1,4-8H3/b19-13-,23-20+
InChIKeyMZROLCTZSDBHJA-WOOQYTSTSA-N
MW311.51 g/mol
LogP6.81
Rot. Bonds6

About (6Z)-6-(4,4-dimethyl-2-methylidenehexylidene)-3-(2,2-dimethylpropyl)-N-ethenylcyclohexa-2,4-dien-1-imine

(6Z)-6-(4,4-dimethyl-2-methylidenehexylidene)-3-(2,2-dimethylpropyl)-N-ethenylcyclohexa-2,4-dien-1-imine (PubChem CID 134266799) has the molecular formula C22H33N and a molecular weight of 311.51 g/mol. Its IUPAC name is (6Z)-6-(4,4-dimethyl-2-methylidenehexylidene)-3-(2,2-dimethylpropyl)-N-ethenylcyclohexa-2,4-dien-1-imine.

Molecular Properties

Compound Name(6Z)-6-(4,4-dimethyl-2-methylidenehexylidene)-3-(2,2-dimethylpropyl)-N-ethenylcyclohexa-2,4-dien-1-imine
PubChem CID134266799
Molecular FormulaC22H33N
Molecular Weight311.51 g/mol
Exact Mass311.26
IUPAC Name(6Z)-6-(4,4-dimethyl-2-methylidenehexylidene)-3-(2,2-dimethylpropyl)-N-ethenylcyclohexa-2,4-dien-1-imine
SMILESC=C/N=C1\C=C(CC(C)(C)C)C=C\C1=C\C(=C)CC(C)(C)CC
InChIInChI=1S/C22H33N/c1-9-22(7,8)15-17(3)13-19-12-11-18(16-21(4,5)6)14-20(19)23-10-2/h10-14H,2-3,9,15-16H2,1,4-8H3/b19-13-,23-20+
InChIKeyMZROLCTZSDBHJA-WOOQYTSTSA-N
XLogP6.81
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.51
LogP ≤ 56.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (6Z)-6-(4,4-dimethyl-2-methylidenehexylidene)-3-(2,2-dimethylpropyl)-N-ethenylcyclohexa-2,4-dien-1-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (6Z)-6-(4,4-dimethyl-2-methylidenehexylidene)-3-(2,2-dimethylpropyl)-N-ethenylcyclohexa-2,4-dien-1-imine?
The IUPAC name of (6Z)-6-(4,4-dimethyl-2-methylidenehexylidene)-3-(2,2-dimethylpropyl)-N-ethenylcyclohexa-2,4-dien-1-imine (CID 134266799) is (6Z)-6-(4,4-dimethyl-2-methylidenehexylidene)-3-(2,2-dimethylpropyl)-N-ethenylcyclohexa-2,4-dien-1-imine.
What is the SMILES notation for (6Z)-6-(4,4-dimethyl-2-methylidenehexylidene)-3-(2,2-dimethylpropyl)-N-ethenylcyclohexa-2,4-dien-1-imine?
The canonical SMILES for (6Z)-6-(4,4-dimethyl-2-methylidenehexylidene)-3-(2,2-dimethylpropyl)-N-ethenylcyclohexa-2,4-dien-1-imine is C=C/N=C1\C=C(CC(C)(C)C)C=C\C1=C\C(=C)CC(C)(C)CC.
What is the InChIKey of (6Z)-6-(4,4-dimethyl-2-methylidenehexylidene)-3-(2,2-dimethylpropyl)-N-ethenylcyclohexa-2,4-dien-1-imine?
The InChIKey is MZROLCTZSDBHJA-WOOQYTSTSA-N. The full InChI is InChI=1S/C22H33N/c1-9-22(7,8)15-17(3)13-19-12-11-18(16-21(4,5)6)14-20(19)23-10-2/h10-14H,2-3,9,15-16H2,1,4-8H3/b19-13-,23-20+.
What are the key properties of (6Z)-6-(4,4-dimethyl-2-methylidenehexylidene)-3-(2,2-dimethylpropyl)-N-ethenylcyclohexa-2,4-dien-1-imine?
(6Z)-6-(4,4-dimethyl-2-methylidenehexylidene)-3-(2,2-dimethylpropyl)-N-ethenylcyclohexa-2,4-dien-1-imine has a molecular weight of 311.51 g/mol, XLogP of 6.81, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z)-6-(4,4-dimethyl-2-methylidenehexylidene)-3-(2,2-dimethylpropyl)-N-ethenylcyclohexa-2,4-dien-1-imine is sourced from PubChem (CID 134266799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).