triethyl-[3-(2-ethylphenyl)pentan-3-yl]azanium chloride

C19H34ClN — CID 175009803

IUPACtriethyl-[3-(2-ethylphenyl)pentan-3-yl]azanium chloride
SMILESCCc1ccccc1C(CC)(CC)[N+](CC)(CC)CC.[Cl-]
InChIInChI=1S/C19H34N.ClH/c1-7-17-15-13-14-16-18(17)19(8-2,9-3)20(10-4,11-5)12-6;/h13-16H,7-12H2,1-6H3;1H/q+1;/p-1
InChIKeyNDTIKYSJRJXAQB-UHFFFAOYSA-M
MW311.94 g/mol
LogP2.14
Rot. Bonds8

About triethyl-[3-(2-ethylphenyl)pentan-3-yl]azanium chloride

triethyl-[3-(2-ethylphenyl)pentan-3-yl]azanium chloride (PubChem CID 175009803) has the molecular formula C19H34ClN and a molecular weight of 311.94 g/mol. Its IUPAC name is triethyl-[3-(2-ethylphenyl)pentan-3-yl]azanium chloride.

Molecular Properties

Compound Nametriethyl-[3-(2-ethylphenyl)pentan-3-yl]azanium chloride
PubChem CID175009803
Molecular FormulaC19H34ClN
Molecular Weight311.94 g/mol
Exact Mass311.24
IUPAC Nametriethyl-[3-(2-ethylphenyl)pentan-3-yl]azanium chloride
SMILESCCc1ccccc1C(CC)(CC)[N+](CC)(CC)CC.[Cl-]
InChIInChI=1S/C19H34N.ClH/c1-7-17-15-13-14-16-18(17)19(8-2,9-3)20(10-4,11-5)12-6;/h13-16H,7-12H2,1-6H3;1H/q+1;/p-1
InChIKeyNDTIKYSJRJXAQB-UHFFFAOYSA-M
XLogP2.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.94
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze triethyl-[3-(2-ethylphenyl)pentan-3-yl]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

dibenzyl-[3-(2-benzylphenyl)pentan-3-yl]-ethylazanium
CID 175193001
3-(2-ethylphenyl)pentane-3-sulfonic acid
CID 151121032
2-(2-ethylphenyl)propan-2-ol
CID 11958936
1-tert-butyl-2-ethylbenzene;hydrogen peroxide
CID 88799251
1-ethyl-2-(2-methylbutan-2-yl)benzene;methanamine;methane
CID 143578858
amino-(2-ethylphenyl)methanediol
CID 174590364
3-(2-ethylphenyl)-N-oxidopentan-3-amine
CID 141431136
1,2-diethylbenzene;hydrobromide
CID 174973685
2-(2-ethylphenyl)propan-2-yl-bis(2-methylpropyl)-phenoxyazanium chloride
CID 175573257
1,2-diethyl-3-(3-ethylpentan-3-yl)benzene
CID 19809738
(2-bromophenyl)methyl-ethyl-dimethylazanium chloride
CID 22493042
1-ethyl-2-(2-ethylphenyl)sulfanylbenzene
CID 19792412

Frequently Asked Questions

What is the IUPAC name of triethyl-[3-(2-ethylphenyl)pentan-3-yl]azanium chloride?
The IUPAC name of triethyl-[3-(2-ethylphenyl)pentan-3-yl]azanium chloride (CID 175009803) is triethyl-[3-(2-ethylphenyl)pentan-3-yl]azanium chloride.
What is the SMILES notation for triethyl-[3-(2-ethylphenyl)pentan-3-yl]azanium chloride?
The canonical SMILES for triethyl-[3-(2-ethylphenyl)pentan-3-yl]azanium chloride is CCc1ccccc1C(CC)(CC)[N+](CC)(CC)CC.[Cl-].
What is the InChIKey of triethyl-[3-(2-ethylphenyl)pentan-3-yl]azanium chloride?
The InChIKey is NDTIKYSJRJXAQB-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H34N.ClH/c1-7-17-15-13-14-16-18(17)19(8-2,9-3)20(10-4,11-5)12-6;/h13-16H,7-12H2,1-6H3;1H/q+1;/p-1.
What are the key properties of triethyl-[3-(2-ethylphenyl)pentan-3-yl]azanium chloride?
triethyl-[3-(2-ethylphenyl)pentan-3-yl]azanium chloride has a molecular weight of 311.94 g/mol, XLogP of 2.14, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-[3-(2-ethylphenyl)pentan-3-yl]azanium chloride is sourced from PubChem (CID 175009803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).