(2-decylphenyl)-dimethyl-(2-phenylethenyl)azanium chloride

C26H38ClN — CID 159140838

IUPAC(2-decylphenyl)-dimethyl-(2-phenylethenyl)azanium chloride
SMILESCCCCCCCCCCc1ccccc1[N+](C)(C)C=Cc1ccccc1.[Cl-]
InChIInChI=1S/C26H38N.ClH/c1-4-5-6-7-8-9-10-14-19-25-20-15-16-21-26(25)27(2,3)23-22-24-17-12-11-13-18-24;/h11-13,15-18,20-23H,4-10,14,19H2,1-3H3;1H/q+1;/p-1
InChIKeyKIBNSGDTSRCMDR-UHFFFAOYSA-M
MW400.05 g/mol
LogP4.61
Rot. Bonds12

About (2-decylphenyl)-dimethyl-(2-phenylethenyl)azanium chloride

(2-decylphenyl)-dimethyl-(2-phenylethenyl)azanium chloride (PubChem CID 159140838) has the molecular formula C26H38ClN and a molecular weight of 400.05 g/mol. Its IUPAC name is (2-decylphenyl)-dimethyl-(2-phenylethenyl)azanium chloride.

Molecular Properties

Compound Name(2-decylphenyl)-dimethyl-(2-phenylethenyl)azanium chloride
PubChem CID159140838
Molecular FormulaC26H38ClN
Molecular Weight400.05 g/mol
Exact Mass399.27
IUPAC Name(2-decylphenyl)-dimethyl-(2-phenylethenyl)azanium chloride
SMILESCCCCCCCCCCc1ccccc1[N+](C)(C)C=Cc1ccccc1.[Cl-]
InChIInChI=1S/C26H38N.ClH/c1-4-5-6-7-8-9-10-14-19-25-20-15-16-21-26(25)27(2,3)23-22-24-17-12-11-13-18-24;/h11-13,15-18,20-23H,4-10,14,19H2,1-3H3;1H/q+1;/p-1
InChIKeyKIBNSGDTSRCMDR-UHFFFAOYSA-M
XLogP4.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.05
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (2-decylphenyl)-dimethyl-(2-phenylethenyl)azanium chloride 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

trimethyl-(2-octadecylphenyl)azanium chloride
CID 175314570
1-nonyl-2-(2-phenylethenyl)benzene
CID 91593587
benzyl-(2-hexylphenyl)-dimethylazanium fluoride
CID 88826911
1-dodecyl-2-hexylbenzene
CID 19371073
1-nonyl-2-pentylbenzene
CID 54050070
1-hexadecyl-2-pentylbenzene
CID 53438584
1,2-di(nonadecyl)benzene
CID 101289987
1,2-di(undecyl)benzene
CID 3019479
1-octadec-9-enyl-2-(2-phenylethenyl)benzene
CID 91146060
1,2-dihexylbenzene;hydrate
CID 172833093
octyl-diphenyl-(2-phenylethenyl)azanium
CID 87513778
carbonic acid;1,2-dihexylbenzene
CID 174444225

Frequently Asked Questions

What is the IUPAC name of (2-decylphenyl)-dimethyl-(2-phenylethenyl)azanium chloride?
The IUPAC name of (2-decylphenyl)-dimethyl-(2-phenylethenyl)azanium chloride (CID 159140838) is (2-decylphenyl)-dimethyl-(2-phenylethenyl)azanium chloride.
What is the SMILES notation for (2-decylphenyl)-dimethyl-(2-phenylethenyl)azanium chloride?
The canonical SMILES for (2-decylphenyl)-dimethyl-(2-phenylethenyl)azanium chloride is CCCCCCCCCCc1ccccc1[N+](C)(C)C=Cc1ccccc1.[Cl-].
What is the InChIKey of (2-decylphenyl)-dimethyl-(2-phenylethenyl)azanium chloride?
The InChIKey is KIBNSGDTSRCMDR-UHFFFAOYSA-M. The full InChI is InChI=1S/C26H38N.ClH/c1-4-5-6-7-8-9-10-14-19-25-20-15-16-21-26(25)27(2,3)23-22-24-17-12-11-13-18-24;/h11-13,15-18,20-23H,4-10,14,19H2,1-3H3;1H/q+1;/p-1.
What are the key properties of (2-decylphenyl)-dimethyl-(2-phenylethenyl)azanium chloride?
(2-decylphenyl)-dimethyl-(2-phenylethenyl)azanium chloride has a molecular weight of 400.05 g/mol, XLogP of 4.61, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2-decylphenyl)-dimethyl-(2-phenylethenyl)azanium chloride is sourced from PubChem (CID 159140838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).