ethyl-methyl-(2-methyl-6-methylideneocta-4,7-dienylidene)azanium

C13H22N+ — CID 123231309

IUPACethyl-methyl-(2-methyl-6-methylideneocta-4,7-dienylidene)azanium
SMILESC=CC(=C)C=CCC(C)/C=[N+](\C)CC
InChIInChI=1S/C13H22N/c1-6-12(3)9-8-10-13(4)11-14(5)7-2/h6,8-9,11,13H,1,3,7,10H2,2,4-5H3/q+1/b9-8?,14-11+
InChIKeyZOFJAHRKDHLFNJ-PDJANDPOSA-N
MW192.33 g/mol
LogP3.04
Rot. Bonds6

About ethyl-methyl-(2-methyl-6-methylideneocta-4,7-dienylidene)azanium

ethyl-methyl-(2-methyl-6-methylideneocta-4,7-dienylidene)azanium (PubChem CID 123231309) has the molecular formula C13H22N+ and a molecular weight of 192.33 g/mol. Its IUPAC name is ethyl-methyl-(2-methyl-6-methylideneocta-4,7-dienylidene)azanium.

Molecular Properties

Compound Nameethyl-methyl-(2-methyl-6-methylideneocta-4,7-dienylidene)azanium
PubChem CID123231309
Molecular FormulaC13H22N+
Molecular Weight192.33 g/mol
Exact Mass192.17
IUPAC Nameethyl-methyl-(2-methyl-6-methylideneocta-4,7-dienylidene)azanium
SMILESC=CC(=C)C=CCC(C)/C=[N+](\C)CC
InChIInChI=1S/C13H22N/c1-6-12(3)9-8-10-13(4)11-14(5)7-2/h6,8-9,11,13H,1,3,7,10H2,2,4-5H3/q+1/b9-8?,14-11+
InChIKeyZOFJAHRKDHLFNJ-PDJANDPOSA-N
XLogP3.04
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.33
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze ethyl-methyl-(2-methyl-6-methylideneocta-4,7-dienylidene)azanium 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

(2Z,4E)-6-fluoro-N-methyl-3-propan-2-ylhexa-2,4-dien-1-imine
CID 139444855
(2Z,4E)-6-fluoro-N-methyl-3-propan-2-ylhepta-2,4-dien-1-imine
CID 170194966
CID 164673418
CID 164673418
N-methyl-1-(6-methylcyclohexa-2,4-dien-1-yl)methanimine
CID 67966293
N-methyl-1-(4-methylcyclohexa-1,5-dien-1-yl)methanimine
CID 68026969
(4Z)-N,5-dimethyl-2-prop-2-enylhepta-4,6-dien-1-imine
CID 87160355
(Z,2E)-N,6-dimethyl-2-propylidenehept-3-en-1-imine
CID 88562301
(2Z)-N-ethenyl-3-propan-2-yl-2-[(Z)-prop-1-enyl]penta-2,4-dien-1-imine
CID 88576624
N-butyl-6-ethenylocta-5,7-dien-1-imine
CID 88589591
(Z)-2-tert-butyl-N,5-dimethyl-4-methylidenehex-2-en-1-imine
CID 89088982
(Z)-N'-ethyl-N-methyl-4,5-dimethylidenehex-2-ene-1,6-diimine
CID 89672783
(E)-N,2-dimethylhex-4-en-1-imine
CID 89899370

Frequently Asked Questions

What is the IUPAC name of ethyl-methyl-(2-methyl-6-methylideneocta-4,7-dienylidene)azanium?
The IUPAC name of ethyl-methyl-(2-methyl-6-methylideneocta-4,7-dienylidene)azanium (CID 123231309) is ethyl-methyl-(2-methyl-6-methylideneocta-4,7-dienylidene)azanium.
What is the SMILES notation for ethyl-methyl-(2-methyl-6-methylideneocta-4,7-dienylidene)azanium?
The canonical SMILES for ethyl-methyl-(2-methyl-6-methylideneocta-4,7-dienylidene)azanium is C=CC(=C)C=CCC(C)/C=[N+](\C)CC.
What is the InChIKey of ethyl-methyl-(2-methyl-6-methylideneocta-4,7-dienylidene)azanium?
The InChIKey is ZOFJAHRKDHLFNJ-PDJANDPOSA-N. The full InChI is InChI=1S/C13H22N/c1-6-12(3)9-8-10-13(4)11-14(5)7-2/h6,8-9,11,13H,1,3,7,10H2,2,4-5H3/q+1/b9-8?,14-11+.
What are the key properties of ethyl-methyl-(2-methyl-6-methylideneocta-4,7-dienylidene)azanium?
ethyl-methyl-(2-methyl-6-methylideneocta-4,7-dienylidene)azanium has a molecular weight of 192.33 g/mol, XLogP of 3.04, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-methyl-(2-methyl-6-methylideneocta-4,7-dienylidene)azanium is sourced from PubChem (CID 123231309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).