[3-ethyl-5-methyl-4-(methylamino)hepta-2,4-dienylidene]-dimethylazanium

C13H25N2+ — CID 123661743

IUPAC[3-ethyl-5-methyl-4-(methylamino)hepta-2,4-dienylidene]-dimethylazanium
SMILESCCC(=CC=[N+](C)C)C(NC)=C(C)CC
InChIInChI=1S/C13H25N2/c1-7-11(3)13(14-4)12(8-2)9-10-15(5)6/h9-10,14H,7-8H2,1-6H3/q+1
InChIKeyNTHJRPVYTUBCEE-UHFFFAOYSA-N
MW209.36 g/mol
LogP2.57
Rot. Bonds5

About [3-ethyl-5-methyl-4-(methylamino)hepta-2,4-dienylidene]-dimethylazanium

[3-ethyl-5-methyl-4-(methylamino)hepta-2,4-dienylidene]-dimethylazanium (PubChem CID 123661743) has the molecular formula C13H25N2+ and a molecular weight of 209.36 g/mol. Its IUPAC name is [3-ethyl-5-methyl-4-(methylamino)hepta-2,4-dienylidene]-dimethylazanium.

Molecular Properties

Compound Name[3-ethyl-5-methyl-4-(methylamino)hepta-2,4-dienylidene]-dimethylazanium
PubChem CID123661743
Molecular FormulaC13H25N2+
Molecular Weight209.36 g/mol
Exact Mass209.20
IUPAC Name[3-ethyl-5-methyl-4-(methylamino)hepta-2,4-dienylidene]-dimethylazanium
SMILESCCC(=CC=[N+](C)C)C(NC)=C(C)CC
InChIInChI=1S/C13H25N2/c1-7-11(3)13(14-4)12(8-2)9-10-15(5)6/h9-10,14H,7-8H2,1-6H3/q+1
InChIKeyNTHJRPVYTUBCEE-UHFFFAOYSA-N
XLogP2.57
TPSA15.04 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.36
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 [3-ethyl-5-methyl-4-(methylamino)hepta-2,4-dienylidene]-dimethylazanium 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)-3-(ethylideneamino)-4-fluoro-N-methyl-2-[(Z)-prop-1-enyl]hexa-2,4-dien-1-amine
CID 170047278
[(2E)-10-(dimethylamino)-3,7-dimethyldeca-2,4,6,8-tetraenylidene]-methylazanium
CID 53867949
2-(cyclohexa-1,5-dien-1-ylmethylideneamino)-N-methylcyclohexa-1,5-dien-1-amine
CID 70856836
(Z)-N-methyl-1-methyliminohex-2-en-3-amine
CID 88953346
(3Z,5E)-N,4,6-trimethyl-9-methyliminonona-3,5-dien-5-amine
CID 89390271
[3-(3-Methylbut-2-enylidene)-2-propylidene-4-pyridinyl]methanamine
CID 90974862
(3Z)-N-ethyl-5-methyl-3-[1-(propan-2-ylideneamino)ethenyl]hexa-3,5-dien-1-amine
CID 91426030
2-butan-2-ylidene-3-ethylidene-N-methylpyridin-4-amine
CID 91502715
(Z,2E)-N-methyl-2-(2-methyliminoethylidene)pent-3-en-1-amine
CID 117904339
N,3-dimethyl-2-methylidene-5-methyliminopent-3-en-1-amine
CID 123218319
Dimethyl-[5-methyl-4-(methylamino)hepta-2,4-dienylidene]azanium
CID 123297385
2-(2-Butan-2-ylidenepiperidin-3-ylidene)ethylidene-dimethylazanium
CID 123426179

Frequently Asked Questions

What is the IUPAC name of [3-ethyl-5-methyl-4-(methylamino)hepta-2,4-dienylidene]-dimethylazanium?
The IUPAC name of [3-ethyl-5-methyl-4-(methylamino)hepta-2,4-dienylidene]-dimethylazanium (CID 123661743) is [3-ethyl-5-methyl-4-(methylamino)hepta-2,4-dienylidene]-dimethylazanium.
What is the SMILES notation for [3-ethyl-5-methyl-4-(methylamino)hepta-2,4-dienylidene]-dimethylazanium?
The canonical SMILES for [3-ethyl-5-methyl-4-(methylamino)hepta-2,4-dienylidene]-dimethylazanium is CCC(=CC=[N+](C)C)C(NC)=C(C)CC.
What is the InChIKey of [3-ethyl-5-methyl-4-(methylamino)hepta-2,4-dienylidene]-dimethylazanium?
The InChIKey is NTHJRPVYTUBCEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N2/c1-7-11(3)13(14-4)12(8-2)9-10-15(5)6/h9-10,14H,7-8H2,1-6H3/q+1.
What are the key properties of [3-ethyl-5-methyl-4-(methylamino)hepta-2,4-dienylidene]-dimethylazanium?
[3-ethyl-5-methyl-4-(methylamino)hepta-2,4-dienylidene]-dimethylazanium has a molecular weight of 209.36 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-ethyl-5-methyl-4-(methylamino)hepta-2,4-dienylidene]-dimethylazanium is sourced from PubChem (CID 123661743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).