trimethyl(2-octyldodecyl)azanium chloride

C23H50ClN — CID 19068813

IUPACtrimethyl(2-octyldodecyl)azanium chloride
SMILESCCCCCCCCCCC(CCCCCCCC)C[N+](C)(C)C.[Cl-]
InChIInChI=1S/C23H50N.ClH/c1-6-8-10-12-14-15-17-19-21-23(22-24(3,4)5)20-18-16-13-11-9-7-2;/h23H,6-22H2,1-5H3;1H/q+1;/p-1
InChIKeyMESABLCBWNEXFC-UHFFFAOYSA-M
MW376.11 g/mol
LogP4.59
Rot. Bonds18

About trimethyl(2-octyldodecyl)azanium chloride

trimethyl(2-octyldodecyl)azanium chloride (PubChem CID 19068813) has the molecular formula C23H50ClN and a molecular weight of 376.11 g/mol. Its IUPAC name is trimethyl(2-octyldodecyl)azanium chloride.

Molecular Properties

Compound Nametrimethyl(2-octyldodecyl)azanium chloride
PubChem CID19068813
Molecular FormulaC23H50ClN
Molecular Weight376.11 g/mol
Exact Mass375.36
IUPAC Nametrimethyl(2-octyldodecyl)azanium chloride
SMILESCCCCCCCCCCC(CCCCCCCC)C[N+](C)(C)C.[Cl-]
InChIInChI=1S/C23H50N.ClH/c1-6-8-10-12-14-15-17-19-21-23(22-24(3,4)5)20-18-16-13-11-9-7-2;/h23H,6-22H2,1-5H3;1H/q+1;/p-1
InChIKeyMESABLCBWNEXFC-UHFFFAOYSA-M
XLogP4.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds18
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.11
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

13-pentylheptacosane
CID 91387927
10-octylicosane
CID 20514731
7-pentylheptadecane
CID 528528
15-pentylheptatriacontane
CID 91048198
7-pentylnonadecane
CID 59903423
8-heptyloctadecane
CID 173205504
9-hexylicosane
CID 54443478
18-hexyl-53-octyl-13-pentyl-48-tetradecylnonahexacontane
CID 162711023
11-pentylheptacosane
CID 91575569
17-pentylhexatriacontane
CID 91327833
6-pentyldocosane
CID 90762104
20,26-di(heptadecyl)pentatetracontane
CID 102213068

Frequently Asked Questions

What is the IUPAC name of trimethyl(2-octyldodecyl)azanium chloride?
The IUPAC name of trimethyl(2-octyldodecyl)azanium chloride (CID 19068813) is trimethyl(2-octyldodecyl)azanium chloride.
What is the SMILES notation for trimethyl(2-octyldodecyl)azanium chloride?
The canonical SMILES for trimethyl(2-octyldodecyl)azanium chloride is CCCCCCCCCCC(CCCCCCCC)C[N+](C)(C)C.[Cl-].
What is the InChIKey of trimethyl(2-octyldodecyl)azanium chloride?
The InChIKey is MESABLCBWNEXFC-UHFFFAOYSA-M. The full InChI is InChI=1S/C23H50N.ClH/c1-6-8-10-12-14-15-17-19-21-23(22-24(3,4)5)20-18-16-13-11-9-7-2;/h23H,6-22H2,1-5H3;1H/q+1;/p-1.
What are the key properties of trimethyl(2-octyldodecyl)azanium chloride?
trimethyl(2-octyldodecyl)azanium chloride has a molecular weight of 376.11 g/mol, XLogP of 4.59, 18 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl(2-octyldodecyl)azanium chloride is sourced from PubChem (CID 19068813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).