hydroxy-dimethyl-(9-methyloctadecan-9-yl)azanium chloride

C21H46ClNO — CID 156695998

IUPAChydroxy-dimethyl-(9-methyloctadecan-9-yl)azanium chloride
SMILESCCCCCCCCCC(C)(CCCCCCCC)[N+](C)(C)O.[Cl-]
InChIInChI=1S/C21H46NO.ClH/c1-6-8-10-12-14-16-18-20-21(3,22(4,5)23)19-17-15-13-11-9-7-2;/h23H,6-20H2,1-5H3;1H/q+1;/p-1
InChIKeyABGNGSCURZOGEX-UHFFFAOYSA-M
MW364.06 g/mol
LogP4.11
Rot. Bonds16

About hydroxy-dimethyl-(9-methyloctadecan-9-yl)azanium chloride

hydroxy-dimethyl-(9-methyloctadecan-9-yl)azanium chloride (PubChem CID 156695998) has the molecular formula C21H46ClNO and a molecular weight of 364.06 g/mol. Its IUPAC name is hydroxy-dimethyl-(9-methyloctadecan-9-yl)azanium chloride.

Molecular Properties

Compound Namehydroxy-dimethyl-(9-methyloctadecan-9-yl)azanium chloride
PubChem CID156695998
Molecular FormulaC21H46ClNO
Molecular Weight364.06 g/mol
Exact Mass363.33
IUPAC Namehydroxy-dimethyl-(9-methyloctadecan-9-yl)azanium chloride
SMILESCCCCCCCCCC(C)(CCCCCCCC)[N+](C)(C)O.[Cl-]
InChIInChI=1S/C21H46NO.ClH/c1-6-8-10-12-14-16-18-20-21(3,22(4,5)23)19-17-15-13-11-9-7-2;/h23H,6-20H2,1-5H3;1H/q+1;/p-1
InChIKeyABGNGSCURZOGEX-UHFFFAOYSA-M
XLogP4.11
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds16
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

23-docosylpentatetracontan-23-yl(trimethyl)azanium chloride
CID 176898262
3-methyloctadecan-3-amine
CID 54058172
13-methylheptacosan-13-ol
CID 87343529
9-bromo-9-methylhenicosane
CID 155906452
3,3-dimethylpentadecane
CID 86034940
3,3-dimethyldodecane
CID 15930786
2-methyldodecan-2-ol
CID 547702
11-methyl-11-nonylhenicosane
CID 19690388
16,16,21,21-tetramethylhexatriacontane
CID 174880889
13-methyl-13-octylhentriacontane
CID 173152457
3-benzyldodecan-3-yl-hydroxy-dimethylazanium chloride
CID 88846129
1-aminoundecane-1,1-diol
CID 21111671

Frequently Asked Questions

What is the IUPAC name of hydroxy-dimethyl-(9-methyloctadecan-9-yl)azanium chloride?
The IUPAC name of hydroxy-dimethyl-(9-methyloctadecan-9-yl)azanium chloride (CID 156695998) is hydroxy-dimethyl-(9-methyloctadecan-9-yl)azanium chloride.
What is the SMILES notation for hydroxy-dimethyl-(9-methyloctadecan-9-yl)azanium chloride?
The canonical SMILES for hydroxy-dimethyl-(9-methyloctadecan-9-yl)azanium chloride is CCCCCCCCCC(C)(CCCCCCCC)[N+](C)(C)O.[Cl-].
What is the InChIKey of hydroxy-dimethyl-(9-methyloctadecan-9-yl)azanium chloride?
The InChIKey is ABGNGSCURZOGEX-UHFFFAOYSA-M. The full InChI is InChI=1S/C21H46NO.ClH/c1-6-8-10-12-14-16-18-20-21(3,22(4,5)23)19-17-15-13-11-9-7-2;/h23H,6-20H2,1-5H3;1H/q+1;/p-1.
What are the key properties of hydroxy-dimethyl-(9-methyloctadecan-9-yl)azanium chloride?
hydroxy-dimethyl-(9-methyloctadecan-9-yl)azanium chloride has a molecular weight of 364.06 g/mol, XLogP of 4.11, 16 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-dimethyl-(9-methyloctadecan-9-yl)azanium chloride is sourced from PubChem (CID 156695998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).