didecyl-hydroxy-methylazanium chloride

C21H46ClNO — CID 175336679

IUPACdidecyl-hydroxy-methylazanium chloride
SMILESCCCCCCCCCC[N+](C)(O)CCCCCCCCCC.[Cl-]
InChIInChI=1S/C21H46NO.ClH/c1-4-6-8-10-12-14-16-18-20-22(3,23)21-19-17-15-13-11-9-7-5-2;/h23H,4-21H2,1-3H3;1H/q+1;/p-1
InChIKeyYAKPVDXOQVPDJY-UHFFFAOYSA-M
MW364.06 g/mol
LogP4.11
Rot. Bonds18

About didecyl-hydroxy-methylazanium chloride

didecyl-hydroxy-methylazanium chloride (PubChem CID 175336679) has the molecular formula C21H46ClNO and a molecular weight of 364.06 g/mol. Its IUPAC name is didecyl-hydroxy-methylazanium chloride.

Molecular Properties

Compound Namedidecyl-hydroxy-methylazanium chloride
PubChem CID175336679
Molecular FormulaC21H46ClNO
Molecular Weight364.06 g/mol
Exact Mass363.33
IUPAC Namedidecyl-hydroxy-methylazanium chloride
SMILESCCCCCCCCCC[N+](C)(O)CCCCCCCCCC.[Cl-]
InChIInChI=1S/C21H46NO.ClH/c1-4-6-8-10-12-14-16-18-20-22(3,23)21-19-17-15-13-11-9-7-5-2;/h23H,4-21H2,1-3H3;1H/q+1;/p-1
InChIKeyYAKPVDXOQVPDJY-UHFFFAOYSA-M
XLogP4.11
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds18
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.06
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

hydroxy-dimethyl-tetracosylazanium chloride
CID 158718920
hydroxy-dimethyl-octadecylazanium hydroxide
CID 139772700
dodecyl(trimethyl)azanium;trimethyl(tetradecyl)azanium;dichloride
CID 156699611
hexadecyl-hydroxy-dioctadecylazanium
CID 19073496
hexyl-icosyl-dimethylazanium chloride
CID 141083999
trihydroxy(tetracosyl)azanium
CID 175938405
docosyl(trimethyl)azanium;hexadecyl(trimethyl)azanium;trimethyl(octadecyl)azanium;trichloride
CID 160555820
decyl-hexyl-dimethylazanium chloride
CID 19369138
dotetracontyl(trimethyl)azanium chloride
CID 141323567
hexatetracontyl(trimethyl)azanium chloride
CID 118223387
dopentacontyl(trimethyl)azanium chloride
CID 118223354
bis(hexadecyl-dimethyl-octadecylazanium) dichloride
CID 141075415

Frequently Asked Questions

What is the IUPAC name of didecyl-hydroxy-methylazanium chloride?
The IUPAC name of didecyl-hydroxy-methylazanium chloride (CID 175336679) is didecyl-hydroxy-methylazanium chloride.
What is the SMILES notation for didecyl-hydroxy-methylazanium chloride?
The canonical SMILES for didecyl-hydroxy-methylazanium chloride is CCCCCCCCCC[N+](C)(O)CCCCCCCCCC.[Cl-].
What is the InChIKey of didecyl-hydroxy-methylazanium chloride?
The InChIKey is YAKPVDXOQVPDJY-UHFFFAOYSA-M. The full InChI is InChI=1S/C21H46NO.ClH/c1-4-6-8-10-12-14-16-18-20-22(3,23)21-19-17-15-13-11-9-7-5-2;/h23H,4-21H2,1-3H3;1H/q+1;/p-1.
What are the key properties of didecyl-hydroxy-methylazanium chloride?
didecyl-hydroxy-methylazanium chloride has a molecular weight of 364.06 g/mol, XLogP of 4.11, 18 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for didecyl-hydroxy-methylazanium chloride is sourced from PubChem (CID 175336679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).