2-ethylhexyl(18-methylnonadecyl)azanium chloride

C28H60ClN — CID 141195161

IUPAC2-ethylhexyl(18-methylnonadecyl)azanium chloride
SMILESCCCCC(CC)C[NH2+]CCCCCCCCCCCCCCCCCC(C)C.[Cl-]
InChIInChI=1S/C28H59N.ClH/c1-5-7-24-28(6-2)26-29-25-22-20-18-16-14-12-10-8-9-11-13-15-17-19-21-23-27(3)4;/h27-29H,5-26H2,1-4H3;1H
InChIKeyMKYOSNMZEJRPNL-UHFFFAOYSA-N
MW446.25 g/mol
LogP5.67
Rot. Bonds24

About 2-ethylhexyl(18-methylnonadecyl)azanium chloride

2-ethylhexyl(18-methylnonadecyl)azanium chloride (PubChem CID 141195161) has the molecular formula C28H60ClN and a molecular weight of 446.25 g/mol. Its IUPAC name is 2-ethylhexyl(18-methylnonadecyl)azanium chloride.

Molecular Properties

Compound Name2-ethylhexyl(18-methylnonadecyl)azanium chloride
PubChem CID141195161
Molecular FormulaC28H60ClN
Molecular Weight446.25 g/mol
Exact Mass445.44
IUPAC Name2-ethylhexyl(18-methylnonadecyl)azanium chloride
SMILESCCCCC(CC)C[NH2+]CCCCCCCCCCCCCCCCCC(C)C.[Cl-]
InChIInChI=1S/C28H59N.ClH/c1-5-7-24-28(6-2)26-29-25-22-20-18-16-14-12-10-8-9-11-13-15-17-19-21-23-27(3)4;/h27-29H,5-26H2,1-4H3;1H
InChIKeyMKYOSNMZEJRPNL-UHFFFAOYSA-N
XLogP5.67
TPSA16.61 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds24
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.25
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2-ethylhexyl(18-methylnonadecyl)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

10-ethyl-2-methyltridecane
CID 173195663
10-ethyl-2,6,12-trimethyloctacosane
CID 123697620
2-methylbutane;2-methyltridecane
CID 54106775
2-methyltetratriacontane
CID 14275207
2-methylpentaoctacontane
CID 90745672
2-methyldecane
CID 23415
2-methyloctacosane
CID 519147
6-ethyl-2,8-dimethylicosane;2,6,9-trimethylhenicosane
CID 160563987
N-(2-ethylhexyl)-N-(7-methyloctyl)decan-1-amine
CID 152619191
5-ethyl-8-methyltetradecane
CID 158454229
2,8-dimethylhexacosane
CID 91748840
2,44-dimethyltripentacontane
CID 123367078

Frequently Asked Questions

What is the IUPAC name of 2-ethylhexyl(18-methylnonadecyl)azanium chloride?
The IUPAC name of 2-ethylhexyl(18-methylnonadecyl)azanium chloride (CID 141195161) is 2-ethylhexyl(18-methylnonadecyl)azanium chloride.
What is the SMILES notation for 2-ethylhexyl(18-methylnonadecyl)azanium chloride?
The canonical SMILES for 2-ethylhexyl(18-methylnonadecyl)azanium chloride is CCCCC(CC)C[NH2+]CCCCCCCCCCCCCCCCCC(C)C.[Cl-].
What is the InChIKey of 2-ethylhexyl(18-methylnonadecyl)azanium chloride?
The InChIKey is MKYOSNMZEJRPNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H59N.ClH/c1-5-7-24-28(6-2)26-29-25-22-20-18-16-14-12-10-8-9-11-13-15-17-19-21-23-27(3)4;/h27-29H,5-26H2,1-4H3;1H.
What are the key properties of 2-ethylhexyl(18-methylnonadecyl)azanium chloride?
2-ethylhexyl(18-methylnonadecyl)azanium chloride has a molecular weight of 446.25 g/mol, XLogP of 5.67, 24 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylhexyl(18-methylnonadecyl)azanium chloride is sourced from PubChem (CID 141195161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).