[2-[1-(dimethylamino)ethenyl]-3,4-dimethylhex-2-enylidene]-propyl-[1-(2,3,4-trimethylcyclopentyl)ethenyl]azanium

C25H45N2+ — CID 91801880

IUPAC[2-[1-(dimethylamino)ethenyl]-3,4-dimethylhex-2-enylidene]-propyl-[1-(2,3,4-trimethylcyclopentyl)ethenyl]azanium
SMILESC=C(C(/C=[N+](\CCC)C(=C)C1CC(C)C(C)C1C)=C(C)C(C)CC)N(C)C
InChIInChI=1S/C25H45N2/c1-12-14-27(23(9)24-15-18(4)19(5)21(24)7)16-25(22(8)26(10)11)20(6)17(3)13-2/h16-19,21,24H,8-9,12-15H2,1-7,10-11H3/q+1/b25-20?,27-16+
InChIKeyXLBVOQVAQMHKDS-UHABCKSNSA-N
MW373.65 g/mol
LogP6.36
Rot. Bonds9

About [2-[1-(dimethylamino)ethenyl]-3,4-dimethylhex-2-enylidene]-propyl-[1-(2,3,4-trimethylcyclopentyl)ethenyl]azanium

[2-[1-(dimethylamino)ethenyl]-3,4-dimethylhex-2-enylidene]-propyl-[1-(2,3,4-trimethylcyclopentyl)ethenyl]azanium (PubChem CID 91801880) has the molecular formula C25H45N2+ and a molecular weight of 373.65 g/mol. Its IUPAC name is [2-[1-(dimethylamino)ethenyl]-3,4-dimethylhex-2-enylidene]-propyl-[1-(2,3,4-trimethylcyclopentyl)ethenyl]azanium.

Molecular Properties

Compound Name[2-[1-(dimethylamino)ethenyl]-3,4-dimethylhex-2-enylidene]-propyl-[1-(2,3,4-trimethylcyclopentyl)ethenyl]azanium
PubChem CID91801880
Molecular FormulaC25H45N2+
Molecular Weight373.65 g/mol
Exact Mass373.36
IUPAC Name[2-[1-(dimethylamino)ethenyl]-3,4-dimethylhex-2-enylidene]-propyl-[1-(2,3,4-trimethylcyclopentyl)ethenyl]azanium
SMILESC=C(C(/C=[N+](\CCC)C(=C)C1CC(C)C(C)C1C)=C(C)C(C)CC)N(C)C
InChIInChI=1S/C25H45N2/c1-12-14-27(23(9)24-15-18(4)19(5)21(24)7)16-25(22(8)26(10)11)20(6)17(3)13-2/h16-19,21,24H,8-9,12-15H2,1-7,10-11H3/q+1/b25-20?,27-16+
InChIKeyXLBVOQVAQMHKDS-UHABCKSNSA-N
XLogP6.36
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.65
LogP ≤ 56.36
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'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze [2-[1-(dimethylamino)ethenyl]-3,4-dimethylhex-2-enylidene]-propyl-[1-(2,3,4-trimethylcyclopentyl)ethenyl]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

[3-[[(3-Ethyl-4,5-dimethylhex-1-en-2-yl)-methylazaniumylidene]methyl]-4,5-dimethylhepta-1,3-dien-2-yl]-dimethyl-propylazanium
CID 90941773
(Z)-N-(2-cyclopentylethyl)-N-ethyl-4-methyl-5-[(1E,3E)-penta-1,3-dienyl]iminopent-3-en-1-amine;ethane
CID 163230456
(Z)-N-(2-cyclopentylethyl)-N-ethyl-4-methyl-5-[(1E,3E)-penta-1,3-dienyl]iminopent-3-en-1-amine
CID 163230457

Frequently Asked Questions

What is the IUPAC name of [2-[1-(dimethylamino)ethenyl]-3,4-dimethylhex-2-enylidene]-propyl-[1-(2,3,4-trimethylcyclopentyl)ethenyl]azanium?
The IUPAC name of [2-[1-(dimethylamino)ethenyl]-3,4-dimethylhex-2-enylidene]-propyl-[1-(2,3,4-trimethylcyclopentyl)ethenyl]azanium (CID 91801880) is [2-[1-(dimethylamino)ethenyl]-3,4-dimethylhex-2-enylidene]-propyl-[1-(2,3,4-trimethylcyclopentyl)ethenyl]azanium.
What is the SMILES notation for [2-[1-(dimethylamino)ethenyl]-3,4-dimethylhex-2-enylidene]-propyl-[1-(2,3,4-trimethylcyclopentyl)ethenyl]azanium?
The canonical SMILES for [2-[1-(dimethylamino)ethenyl]-3,4-dimethylhex-2-enylidene]-propyl-[1-(2,3,4-trimethylcyclopentyl)ethenyl]azanium is C=C(C(/C=[N+](\CCC)C(=C)C1CC(C)C(C)C1C)=C(C)C(C)CC)N(C)C.
What is the InChIKey of [2-[1-(dimethylamino)ethenyl]-3,4-dimethylhex-2-enylidene]-propyl-[1-(2,3,4-trimethylcyclopentyl)ethenyl]azanium?
The InChIKey is XLBVOQVAQMHKDS-UHABCKSNSA-N. The full InChI is InChI=1S/C25H45N2/c1-12-14-27(23(9)24-15-18(4)19(5)21(24)7)16-25(22(8)26(10)11)20(6)17(3)13-2/h16-19,21,24H,8-9,12-15H2,1-7,10-11H3/q+1/b25-20?,27-16+.
What are the key properties of [2-[1-(dimethylamino)ethenyl]-3,4-dimethylhex-2-enylidene]-propyl-[1-(2,3,4-trimethylcyclopentyl)ethenyl]azanium?
[2-[1-(dimethylamino)ethenyl]-3,4-dimethylhex-2-enylidene]-propyl-[1-(2,3,4-trimethylcyclopentyl)ethenyl]azanium has a molecular weight of 373.65 g/mol, XLogP of 6.36, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[1-(dimethylamino)ethenyl]-3,4-dimethylhex-2-enylidene]-propyl-[1-(2,3,4-trimethylcyclopentyl)ethenyl]azanium is sourced from PubChem (CID 91801880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).