(6Z)-3-tert-butyl-6-(2-methyliminoethylidene)cyclohexa-2,4-dien-1-imine

C13H18N2 — CID 134460644

IUPAC(6Z)-3-tert-butyl-6-(2-methyliminoethylidene)cyclohexa-2,4-dien-1-imine
SMILES[H]/N=C1\C=C(C(C)(C)C)C=C\C1=C\C=N\C
InChIInChI=1S/C13H18N2/c1-13(2,3)11-6-5-10(7-8-15-4)12(14)9-11/h5-9,14H,1-4H3/b10-7-,14-12+,15-8+
InChIKeyOCTZYYQAIRLNFM-MXFGKVBNSA-N
MW202.30 g/mol
LogP3.18
Rot. Bonds1

About (6Z)-3-tert-butyl-6-(2-methyliminoethylidene)cyclohexa-2,4-dien-1-imine

(6Z)-3-tert-butyl-6-(2-methyliminoethylidene)cyclohexa-2,4-dien-1-imine (PubChem CID 134460644) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is (6Z)-3-tert-butyl-6-(2-methyliminoethylidene)cyclohexa-2,4-dien-1-imine.

Molecular Properties

Compound Name(6Z)-3-tert-butyl-6-(2-methyliminoethylidene)cyclohexa-2,4-dien-1-imine
PubChem CID134460644
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name(6Z)-3-tert-butyl-6-(2-methyliminoethylidene)cyclohexa-2,4-dien-1-imine
SMILES[H]/N=C1\C=C(C(C)(C)C)C=C\C1=C\C=N\C
InChIInChI=1S/C13H18N2/c1-13(2,3)11-6-5-10(7-8-15-4)12(14)9-11/h5-9,14H,1-4H3/b10-7-,14-12+,15-8+
InChIKeyOCTZYYQAIRLNFM-MXFGKVBNSA-N
XLogP3.18
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (6Z)-3-tert-butyl-6-(2-methyliminoethylidene)cyclohexa-2,4-dien-1-imine?
The IUPAC name of (6Z)-3-tert-butyl-6-(2-methyliminoethylidene)cyclohexa-2,4-dien-1-imine (CID 134460644) is (6Z)-3-tert-butyl-6-(2-methyliminoethylidene)cyclohexa-2,4-dien-1-imine.
What is the SMILES notation for (6Z)-3-tert-butyl-6-(2-methyliminoethylidene)cyclohexa-2,4-dien-1-imine?
The canonical SMILES for (6Z)-3-tert-butyl-6-(2-methyliminoethylidene)cyclohexa-2,4-dien-1-imine is [H]/N=C1\C=C(C(C)(C)C)C=C\C1=C\C=N\C.
What is the InChIKey of (6Z)-3-tert-butyl-6-(2-methyliminoethylidene)cyclohexa-2,4-dien-1-imine?
The InChIKey is OCTZYYQAIRLNFM-MXFGKVBNSA-N. The full InChI is InChI=1S/C13H18N2/c1-13(2,3)11-6-5-10(7-8-15-4)12(14)9-11/h5-9,14H,1-4H3/b10-7-,14-12+,15-8+.
What are the key properties of (6Z)-3-tert-butyl-6-(2-methyliminoethylidene)cyclohexa-2,4-dien-1-imine?
(6Z)-3-tert-butyl-6-(2-methyliminoethylidene)cyclohexa-2,4-dien-1-imine has a molecular weight of 202.30 g/mol, XLogP of 3.18, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z)-3-tert-butyl-6-(2-methyliminoethylidene)cyclohexa-2,4-dien-1-imine is sourced from PubChem (CID 134460644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).