(Z,7E)-6,6-dimethyl-7-(2-methylbutylidene)-N-methylsulfanylcyclohepta-2,4-dien-1-imine

C15H23NS — CID 142051518

IUPAC(Z,7E)-6,6-dimethyl-7-(2-methylbutylidene)-N-methylsulfanylcyclohepta-2,4-dien-1-imine
SMILESCCC(C)/C=C1C(=N\SC)/C=CC=CC/1(C)C
InChIInChI=1S/C15H23NS/c1-6-12(2)11-13-14(16-17-5)9-7-8-10-15(13,3)4/h7-12H,6H2,1-5H3/b13-11-,16-14-
InChIKeyIPRYURUNYQHONN-IEFDFHFWSA-N
MW249.42 g/mol
LogP4.83
Rot. Bonds3

About (Z,7E)-6,6-dimethyl-7-(2-methylbutylidene)-N-methylsulfanylcyclohepta-2,4-dien-1-imine

(Z,7E)-6,6-dimethyl-7-(2-methylbutylidene)-N-methylsulfanylcyclohepta-2,4-dien-1-imine (PubChem CID 142051518) has the molecular formula C15H23NS and a molecular weight of 249.42 g/mol. Its IUPAC name is (Z,7E)-6,6-dimethyl-7-(2-methylbutylidene)-N-methylsulfanylcyclohepta-2,4-dien-1-imine.

Molecular Properties

Compound Name(Z,7E)-6,6-dimethyl-7-(2-methylbutylidene)-N-methylsulfanylcyclohepta-2,4-dien-1-imine
PubChem CID142051518
Molecular FormulaC15H23NS
Molecular Weight249.42 g/mol
Exact Mass249.16
IUPAC Name(Z,7E)-6,6-dimethyl-7-(2-methylbutylidene)-N-methylsulfanylcyclohepta-2,4-dien-1-imine
SMILESCCC(C)/C=C1C(=N\SC)/C=CC=CC/1(C)C
InChIInChI=1S/C15H23NS/c1-6-12(2)11-13-14(16-17-5)9-7-8-10-15(13,3)4/h7-12H,6H2,1-5H3/b13-11-,16-14-
InChIKeyIPRYURUNYQHONN-IEFDFHFWSA-N
XLogP4.83
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.42
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (Z,7E)-6,6-dimethyl-7-(2-methylbutylidene)-N-methylsulfanylcyclohepta-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 (Z,7E)-6,6-dimethyl-7-(2-methylbutylidene)-N-methylsulfanylcyclohepta-2,4-dien-1-imine?
The IUPAC name of (Z,7E)-6,6-dimethyl-7-(2-methylbutylidene)-N-methylsulfanylcyclohepta-2,4-dien-1-imine (CID 142051518) is (Z,7E)-6,6-dimethyl-7-(2-methylbutylidene)-N-methylsulfanylcyclohepta-2,4-dien-1-imine.
What is the SMILES notation for (Z,7E)-6,6-dimethyl-7-(2-methylbutylidene)-N-methylsulfanylcyclohepta-2,4-dien-1-imine?
The canonical SMILES for (Z,7E)-6,6-dimethyl-7-(2-methylbutylidene)-N-methylsulfanylcyclohepta-2,4-dien-1-imine is CCC(C)/C=C1C(=N\SC)/C=CC=CC/1(C)C.
What is the InChIKey of (Z,7E)-6,6-dimethyl-7-(2-methylbutylidene)-N-methylsulfanylcyclohepta-2,4-dien-1-imine?
The InChIKey is IPRYURUNYQHONN-IEFDFHFWSA-N. The full InChI is InChI=1S/C15H23NS/c1-6-12(2)11-13-14(16-17-5)9-7-8-10-15(13,3)4/h7-12H,6H2,1-5H3/b13-11-,16-14-.
What are the key properties of (Z,7E)-6,6-dimethyl-7-(2-methylbutylidene)-N-methylsulfanylcyclohepta-2,4-dien-1-imine?
(Z,7E)-6,6-dimethyl-7-(2-methylbutylidene)-N-methylsulfanylcyclohepta-2,4-dien-1-imine has a molecular weight of 249.42 g/mol, XLogP of 4.83, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,7E)-6,6-dimethyl-7-(2-methylbutylidene)-N-methylsulfanylcyclohepta-2,4-dien-1-imine is sourced from PubChem (CID 142051518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).