but-1-en-2-yl-(4-ethyl-3,4-dimethyl-5-methylideneheptan-3-yl)-(6-ethylidenecyclohex-2-en-1-ylidene)azanium

C24H40N+ — CID 91490113

IUPACbut-1-en-2-yl-(4-ethyl-3,4-dimethyl-5-methylideneheptan-3-yl)-(6-ethylidenecyclohex-2-en-1-ylidene)azanium
SMILESC=C(CC)/[N+](=C1/C=CCCC1=CC)C(C)(CC)C(C)(CC)C(=C)CC
InChIInChI=1S/C24H40N/c1-10-19(6)23(8,13-4)24(9,14-5)25(20(7)11-2)22-18-16-15-17-21(22)12-3/h12,16,18H,6-7,10-11,13-15,17H2,1-5,8-9H3/q+1/b21-12?,25-22+
InChIKeyBHGULDSYCOAJEU-WJZWHPSISA-N
MW342.59 g/mol
LogP7.21
Rot. Bonds8

About but-1-en-2-yl-(4-ethyl-3,4-dimethyl-5-methylideneheptan-3-yl)-(6-ethylidenecyclohex-2-en-1-ylidene)azanium

but-1-en-2-yl-(4-ethyl-3,4-dimethyl-5-methylideneheptan-3-yl)-(6-ethylidenecyclohex-2-en-1-ylidene)azanium (PubChem CID 91490113) has the molecular formula C24H40N+ and a molecular weight of 342.59 g/mol. Its IUPAC name is but-1-en-2-yl-(4-ethyl-3,4-dimethyl-5-methylideneheptan-3-yl)-(6-ethylidenecyclohex-2-en-1-ylidene)azanium.

Molecular Properties

Compound Namebut-1-en-2-yl-(4-ethyl-3,4-dimethyl-5-methylideneheptan-3-yl)-(6-ethylidenecyclohex-2-en-1-ylidene)azanium
PubChem CID91490113
Molecular FormulaC24H40N+
Molecular Weight342.59 g/mol
Exact Mass342.32
IUPAC Namebut-1-en-2-yl-(4-ethyl-3,4-dimethyl-5-methylideneheptan-3-yl)-(6-ethylidenecyclohex-2-en-1-ylidene)azanium
SMILESC=C(CC)/[N+](=C1/C=CCCC1=CC)C(C)(CC)C(C)(CC)C(=C)CC
InChIInChI=1S/C24H40N/c1-10-19(6)23(8,13-4)24(9,14-5)25(20(7)11-2)22-18-16-15-17-21(22)12-3/h12,16,18H,6-7,10-11,13-15,17H2,1-5,8-9H3/q+1/b21-12?,25-22+
InChIKeyBHGULDSYCOAJEU-WJZWHPSISA-N
XLogP7.21
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.59
LogP ≤ 57.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze but-1-en-2-yl-(4-ethyl-3,4-dimethyl-5-methylideneheptan-3-yl)-(6-ethylidenecyclohex-2-en-1-ylidene)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

4-Ethenyl-2-[(6-ethenyl-4-ethylidene-5-prop-2-enylidene-2-pyridinyl)methyl]-1,2,3,3-tetramethyl-5-prop-1-enyl-6-prop-1-en-2-ylpyridin-1-ium
CID 123169263
2,2-Diethyl-1-(5-ethylocta-2,6-dien-2-yl)-6-methyl-3,5-dimethylidene-4-prop-2-enylidenepyridin-1-ium
CID 123737759
1-But-2-en-2-yl-2,2,3-triethyl-3,6-dimethyl-5-methylidene-4-prop-2-enylidenepyridin-1-ium
CID 123892674

Frequently Asked Questions

What is the IUPAC name of but-1-en-2-yl-(4-ethyl-3,4-dimethyl-5-methylideneheptan-3-yl)-(6-ethylidenecyclohex-2-en-1-ylidene)azanium?
The IUPAC name of but-1-en-2-yl-(4-ethyl-3,4-dimethyl-5-methylideneheptan-3-yl)-(6-ethylidenecyclohex-2-en-1-ylidene)azanium (CID 91490113) is but-1-en-2-yl-(4-ethyl-3,4-dimethyl-5-methylideneheptan-3-yl)-(6-ethylidenecyclohex-2-en-1-ylidene)azanium.
What is the SMILES notation for but-1-en-2-yl-(4-ethyl-3,4-dimethyl-5-methylideneheptan-3-yl)-(6-ethylidenecyclohex-2-en-1-ylidene)azanium?
The canonical SMILES for but-1-en-2-yl-(4-ethyl-3,4-dimethyl-5-methylideneheptan-3-yl)-(6-ethylidenecyclohex-2-en-1-ylidene)azanium is C=C(CC)/[N+](=C1/C=CCCC1=CC)C(C)(CC)C(C)(CC)C(=C)CC.
What is the InChIKey of but-1-en-2-yl-(4-ethyl-3,4-dimethyl-5-methylideneheptan-3-yl)-(6-ethylidenecyclohex-2-en-1-ylidene)azanium?
The InChIKey is BHGULDSYCOAJEU-WJZWHPSISA-N. The full InChI is InChI=1S/C24H40N/c1-10-19(6)23(8,13-4)24(9,14-5)25(20(7)11-2)22-18-16-15-17-21(22)12-3/h12,16,18H,6-7,10-11,13-15,17H2,1-5,8-9H3/q+1/b21-12?,25-22+.
What are the key properties of but-1-en-2-yl-(4-ethyl-3,4-dimethyl-5-methylideneheptan-3-yl)-(6-ethylidenecyclohex-2-en-1-ylidene)azanium?
but-1-en-2-yl-(4-ethyl-3,4-dimethyl-5-methylideneheptan-3-yl)-(6-ethylidenecyclohex-2-en-1-ylidene)azanium has a molecular weight of 342.59 g/mol, XLogP of 7.21, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for but-1-en-2-yl-(4-ethyl-3,4-dimethyl-5-methylideneheptan-3-yl)-(6-ethylidenecyclohex-2-en-1-ylidene)azanium is sourced from PubChem (CID 91490113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).