butyl-(5-ethyl-2-methyloctyl)-phenylazanium

C21H38N+ — CID 23123538

IUPACbutyl-(5-ethyl-2-methyloctyl)-phenylazanium
SMILESCCCC[NH+](CC(C)CCC(CC)CCC)c1ccccc1
InChIInChI=1S/C21H37N/c1-5-8-17-22(21-13-10-9-11-14-21)18-19(4)15-16-20(7-3)12-6-2/h9-11,13-14,19-20H,5-8,12,15-18H2,1-4H3/p+1
InChIKeyBFIBJCQHOLURKJ-UHFFFAOYSA-O
MW304.54 g/mol
LogP5.25
Rot. Bonds12

About butyl-(5-ethyl-2-methyloctyl)-phenylazanium

butyl-(5-ethyl-2-methyloctyl)-phenylazanium (PubChem CID 23123538) has the molecular formula C21H38N+ and a molecular weight of 304.54 g/mol. Its IUPAC name is butyl-(5-ethyl-2-methyloctyl)-phenylazanium.

Molecular Properties

Compound Namebutyl-(5-ethyl-2-methyloctyl)-phenylazanium
PubChem CID23123538
Molecular FormulaC21H38N+
Molecular Weight304.54 g/mol
Exact Mass304.30
IUPAC Namebutyl-(5-ethyl-2-methyloctyl)-phenylazanium
SMILESCCCC[NH+](CC(C)CCC(CC)CCC)c1ccccc1
InChIInChI=1S/C21H37N/c1-5-8-17-22(21-13-10-9-11-14-21)18-19(4)15-16-20(7-3)12-6-2/h9-11,13-14,19-20H,5-8,12,15-18H2,1-4H3/p+1
InChIKeyBFIBJCQHOLURKJ-UHFFFAOYSA-O
XLogP5.25
TPSA4.44 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.54
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Analyze butyl-(5-ethyl-2-methyloctyl)-phenylazanium 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

ethyl-(2-methylpentyl)-phenylazanium
CID 23123245
[(2R,5R)-5-ethyl-2-methyloctyl]benzene
CID 3085733
6-ethyl-3-methylnonane;methane
CID 142358245
(2,4-difluorophenyl)-hexyl-nonylazanium;tetrakis(5-ethyl-2-methyloctyl)boranuide
CID 22637379
4-ethylheptane;3-methylheptane
CID 143099611
3-ethyl-6-methyldecane
CID 57490928
1,3-ditert-butylbenzene;dibutyl(phenyl)azanium;[2,6-di(propan-2-yl)phenyl]azanium
CID 159012165
dibutyl(phenyl)azanium;(2,6-ditert-butylphenyl)azanium;[2,6-di(propan-2-yl)phenyl]azanium
CID 158441680
18-ethyl-15-methyltetratriacontane
CID 123619510
13-ethyl-16-methyltriacontane
CID 123421227
tetrakis(5-ethyl-2-methyloctyl)boranuide
CID 22637381
3-ethylundecylbenzene
CID 101046196

Frequently Asked Questions

What is the IUPAC name of butyl-(5-ethyl-2-methyloctyl)-phenylazanium?
The IUPAC name of butyl-(5-ethyl-2-methyloctyl)-phenylazanium (CID 23123538) is butyl-(5-ethyl-2-methyloctyl)-phenylazanium.
What is the SMILES notation for butyl-(5-ethyl-2-methyloctyl)-phenylazanium?
The canonical SMILES for butyl-(5-ethyl-2-methyloctyl)-phenylazanium is CCCC[NH+](CC(C)CCC(CC)CCC)c1ccccc1.
What is the InChIKey of butyl-(5-ethyl-2-methyloctyl)-phenylazanium?
The InChIKey is BFIBJCQHOLURKJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C21H37N/c1-5-8-17-22(21-13-10-9-11-14-21)18-19(4)15-16-20(7-3)12-6-2/h9-11,13-14,19-20H,5-8,12,15-18H2,1-4H3/p+1.
What are the key properties of butyl-(5-ethyl-2-methyloctyl)-phenylazanium?
butyl-(5-ethyl-2-methyloctyl)-phenylazanium has a molecular weight of 304.54 g/mol, XLogP of 5.25, 12 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butyl-(5-ethyl-2-methyloctyl)-phenylazanium is sourced from PubChem (CID 23123538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).