(2-but-2-en-2-ylcyclohexyl)-dimethyl-(2-methylpenta-1,4-dien-3-yl)azanium

C18H32N+ — CID 123353134

IUPAC(2-but-2-en-2-ylcyclohexyl)-dimethyl-(2-methylpenta-1,4-dien-3-yl)azanium
SMILESC=CC(C(=C)C)[N+](C)(C)C1CCCCC1C(C)=CC
InChIInChI=1S/C18H32N/c1-8-15(5)16-12-10-11-13-18(16)19(6,7)17(9-2)14(3)4/h8-9,16-18H,2-3,10-13H2,1,4-7H3/q+1
InChIKeyDELTZWFRFPJACE-UHFFFAOYSA-N
MW262.46 g/mol
LogP4.72
Rot. Bonds5

About (2-but-2-en-2-ylcyclohexyl)-dimethyl-(2-methylpenta-1,4-dien-3-yl)azanium

(2-but-2-en-2-ylcyclohexyl)-dimethyl-(2-methylpenta-1,4-dien-3-yl)azanium (PubChem CID 123353134) has the molecular formula C18H32N+ and a molecular weight of 262.46 g/mol. Its IUPAC name is (2-but-2-en-2-ylcyclohexyl)-dimethyl-(2-methylpenta-1,4-dien-3-yl)azanium.

Molecular Properties

Compound Name(2-but-2-en-2-ylcyclohexyl)-dimethyl-(2-methylpenta-1,4-dien-3-yl)azanium
PubChem CID123353134
Molecular FormulaC18H32N+
Molecular Weight262.46 g/mol
Exact Mass262.25
IUPAC Name(2-but-2-en-2-ylcyclohexyl)-dimethyl-(2-methylpenta-1,4-dien-3-yl)azanium
SMILESC=CC(C(=C)C)[N+](C)(C)C1CCCCC1C(C)=CC
InChIInChI=1S/C18H32N/c1-8-15(5)16-12-10-11-13-18(16)19(6,7)17(9-2)14(3)4/h8-9,16-18H,2-3,10-13H2,1,4-7H3/q+1
InChIKeyDELTZWFRFPJACE-UHFFFAOYSA-N
XLogP4.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.46
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze (2-but-2-en-2-ylcyclohexyl)-dimethyl-(2-methylpenta-1,4-dien-3-yl)azanium with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2-but-2-en-2-ylcyclohexyl)-dimethyl-(2-methylpenta-1,4-dien-3-yl)azanium?
The IUPAC name of (2-but-2-en-2-ylcyclohexyl)-dimethyl-(2-methylpenta-1,4-dien-3-yl)azanium (CID 123353134) is (2-but-2-en-2-ylcyclohexyl)-dimethyl-(2-methylpenta-1,4-dien-3-yl)azanium.
What is the SMILES notation for (2-but-2-en-2-ylcyclohexyl)-dimethyl-(2-methylpenta-1,4-dien-3-yl)azanium?
The canonical SMILES for (2-but-2-en-2-ylcyclohexyl)-dimethyl-(2-methylpenta-1,4-dien-3-yl)azanium is C=CC(C(=C)C)[N+](C)(C)C1CCCCC1C(C)=CC.
What is the InChIKey of (2-but-2-en-2-ylcyclohexyl)-dimethyl-(2-methylpenta-1,4-dien-3-yl)azanium?
The InChIKey is DELTZWFRFPJACE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N/c1-8-15(5)16-12-10-11-13-18(16)19(6,7)17(9-2)14(3)4/h8-9,16-18H,2-3,10-13H2,1,4-7H3/q+1.
What are the key properties of (2-but-2-en-2-ylcyclohexyl)-dimethyl-(2-methylpenta-1,4-dien-3-yl)azanium?
(2-but-2-en-2-ylcyclohexyl)-dimethyl-(2-methylpenta-1,4-dien-3-yl)azanium has a molecular weight of 262.46 g/mol, XLogP of 4.72, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2-but-2-en-2-ylcyclohexyl)-dimethyl-(2-methylpenta-1,4-dien-3-yl)azanium is sourced from PubChem (CID 123353134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).