N-[(1E,4Z)-2-methyl-3,6-dimethylideneocta-1,4-dienyl]ethanimine

C13H19N — CID 143684115

IUPACN-[(1E,4Z)-2-methyl-3,6-dimethylideneocta-1,4-dienyl]ethanimine
SMILESC=C(/C=C/C(=C)/C(C)=C/N=C/C)CC
InChIInChI=1S/C13H19N/c1-6-11(3)8-9-12(4)13(5)10-14-7-2/h7-10H,3-4,6H2,1-2,5H3/b9-8-,13-10+,14-7+
InChIKeyMYSYHQGMBWTDCX-XGSWXBRXSA-N
MW189.30 g/mol
LogP4.06
Rot. Bonds5

About N-[(1E,4Z)-2-methyl-3,6-dimethylideneocta-1,4-dienyl]ethanimine

N-[(1E,4Z)-2-methyl-3,6-dimethylideneocta-1,4-dienyl]ethanimine (PubChem CID 143684115) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is N-[(1E,4Z)-2-methyl-3,6-dimethylideneocta-1,4-dienyl]ethanimine.

Molecular Properties

Compound NameN-[(1E,4Z)-2-methyl-3,6-dimethylideneocta-1,4-dienyl]ethanimine
PubChem CID143684115
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC NameN-[(1E,4Z)-2-methyl-3,6-dimethylideneocta-1,4-dienyl]ethanimine
SMILESC=C(/C=C/C(=C)/C(C)=C/N=C/C)CC
InChIInChI=1S/C13H19N/c1-6-11(3)8-9-12(4)13(5)10-14-7-2/h7-10H,3-4,6H2,1-2,5H3/b9-8-,13-10+,14-7+
InChIKeyMYSYHQGMBWTDCX-XGSWXBRXSA-N
XLogP4.06
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[(1E,4Z)-2-methyl-3,6-dimethylideneocta-1,4-dienyl]ethanimine with MolForge

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

Launch Full Analysis

Related Compounds

3,6-ditert-butyl-3H-azepine
CID 10987408
Benzazocine
CID 19879720
(4Z)-7-ethyl-N,4-dimethyl-3-methylidenenona-4,6-dien-1-imine
CID 129203548
(Z,2Z,3E)-2,3-di(ethylidene)-N-methyloct-5-en-1-imine
CID 134224923
N-[2-methyl-3-methylidene-5-(trifluoromethyl)hepta-1,4,6-trienyl]ethanimine
CID 91593348
(2E,4E,6E)-N-ethenyl-8-fluoro-5-methyl-6-[(Z)-prop-1-enyl]-2-prop-1-en-2-ylnona-2,4,6,8-tetraen-1-imine
CID 126516076
N-[(1Z,3E)-4-fluoro-2-propylhepta-1,3-dienyl]ethanimine
CID 129172083
N-[(1E,3E,5Z)-4-ethyl-2-fluorohepta-1,3,5-trienyl]methanimine
CID 130413111
N-[(1E,3Z)-2-(trifluoromethyl)hexa-1,3-dienyl]ethanimine
CID 142839013
N-[(1E,3Z)-2-(trifluoromethyl)penta-1,3-dienyl]ethanimine
CID 143139877
(Z)-N-[(1Z,3E)-1-fluoro-2,3-dimethylhexa-1,3-dienyl]ethanimine
CID 144279669
N-[(1Z,3Z)-6-fluoro-2-methylhepta-1,3-dienyl]methanimine
CID 153589803

Frequently Asked Questions

What is the IUPAC name of N-[(1E,4Z)-2-methyl-3,6-dimethylideneocta-1,4-dienyl]ethanimine?
The IUPAC name of N-[(1E,4Z)-2-methyl-3,6-dimethylideneocta-1,4-dienyl]ethanimine (CID 143684115) is N-[(1E,4Z)-2-methyl-3,6-dimethylideneocta-1,4-dienyl]ethanimine.
What is the SMILES notation for N-[(1E,4Z)-2-methyl-3,6-dimethylideneocta-1,4-dienyl]ethanimine?
The canonical SMILES for N-[(1E,4Z)-2-methyl-3,6-dimethylideneocta-1,4-dienyl]ethanimine is C=C(/C=C/C(=C)/C(C)=C/N=C/C)CC.
What is the InChIKey of N-[(1E,4Z)-2-methyl-3,6-dimethylideneocta-1,4-dienyl]ethanimine?
The InChIKey is MYSYHQGMBWTDCX-XGSWXBRXSA-N. The full InChI is InChI=1S/C13H19N/c1-6-11(3)8-9-12(4)13(5)10-14-7-2/h7-10H,3-4,6H2,1-2,5H3/b9-8-,13-10+,14-7+.
What are the key properties of N-[(1E,4Z)-2-methyl-3,6-dimethylideneocta-1,4-dienyl]ethanimine?
N-[(1E,4Z)-2-methyl-3,6-dimethylideneocta-1,4-dienyl]ethanimine has a molecular weight of 189.30 g/mol, XLogP of 4.06, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1E,4Z)-2-methyl-3,6-dimethylideneocta-1,4-dienyl]ethanimine is sourced from PubChem (CID 143684115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).