dodecyl-dimethyl-(nonoxymethyl)azanium chloride

C24H52ClNO — CID 3025992

IUPACdodecyl-dimethyl-(nonoxymethyl)azanium chloride
SMILESCCCCCCCCCCCC[N+](C)(C)COCCCCCCCCC.[Cl-]
InChIInChI=1S/C24H52NO.ClH/c1-5-7-9-11-13-14-15-16-18-20-22-25(3,4)24-26-23-21-19-17-12-10-8-6-2;/h5-24H2,1-4H3;1H/q+1;/p-1
InChIKeyHYTNPDPGCIZTBR-UHFFFAOYSA-M
MW406.14 g/mol
LogP4.71
Rot. Bonds21

About dodecyl-dimethyl-(nonoxymethyl)azanium chloride

dodecyl-dimethyl-(nonoxymethyl)azanium chloride (PubChem CID 3025992) has the molecular formula C24H52ClNO and a molecular weight of 406.14 g/mol. Its IUPAC name is dodecyl-dimethyl-(nonoxymethyl)azanium chloride.

Molecular Properties

Compound Namedodecyl-dimethyl-(nonoxymethyl)azanium chloride
PubChem CID3025992
Molecular FormulaC24H52ClNO
Molecular Weight406.14 g/mol
Exact Mass405.37
IUPAC Namedodecyl-dimethyl-(nonoxymethyl)azanium chloride
SMILESCCCCCCCCCCCC[N+](C)(C)COCCCCCCCCC.[Cl-]
InChIInChI=1S/C24H52NO.ClH/c1-5-7-9-11-13-14-15-16-18-20-22-25(3,4)24-26-23-21-19-17-12-10-8-6-2;/h5-24H2,1-4H3;1H/q+1;/p-1
InChIKeyHYTNPDPGCIZTBR-UHFFFAOYSA-M
XLogP4.71
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds21
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.14
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

decyl-dimethyl-(octoxymethyl)azanium
CID 10406436
butoxymethyl-decyl-dimethylazanium
CID 10494975
dimethyl-octyl-(propoxymethyl)azanium chloride
CID 10825613
dodecoxymethyl-(3-hydroxypropyl)-dimethylazanium chloride
CID 11382153
hexoxymethyl-(2-hydroxyethyl)-dimethylazanium chloride
CID 11299429
decoxymethyl(trimethyl)azanium
CID 12769756
2-hydroxypropyl-dimethyl-(octoxymethyl)azanium
CID 11448914
2-hydroxypropyl-dimethyl-(octadecoxymethyl)azanium
CID 11235536
hexyl-icosyl-dimethylazanium chloride
CID 141083999
bis(hexadecyl-dimethyl-octadecylazanium) dichloride
CID 141075415
decyl-hexyl-dimethylazanium chloride
CID 19369138
decyl-dimethyl-nonylazanium chloride
CID 23185420

Frequently Asked Questions

What is the IUPAC name of dodecyl-dimethyl-(nonoxymethyl)azanium chloride?
The IUPAC name of dodecyl-dimethyl-(nonoxymethyl)azanium chloride (CID 3025992) is dodecyl-dimethyl-(nonoxymethyl)azanium chloride.
What is the SMILES notation for dodecyl-dimethyl-(nonoxymethyl)azanium chloride?
The canonical SMILES for dodecyl-dimethyl-(nonoxymethyl)azanium chloride is CCCCCCCCCCCC[N+](C)(C)COCCCCCCCCC.[Cl-].
What is the InChIKey of dodecyl-dimethyl-(nonoxymethyl)azanium chloride?
The InChIKey is HYTNPDPGCIZTBR-UHFFFAOYSA-M. The full InChI is InChI=1S/C24H52NO.ClH/c1-5-7-9-11-13-14-15-16-18-20-22-25(3,4)24-26-23-21-19-17-12-10-8-6-2;/h5-24H2,1-4H3;1H/q+1;/p-1.
What are the key properties of dodecyl-dimethyl-(nonoxymethyl)azanium chloride?
dodecyl-dimethyl-(nonoxymethyl)azanium chloride has a molecular weight of 406.14 g/mol, XLogP of 4.71, 21 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dodecyl-dimethyl-(nonoxymethyl)azanium chloride is sourced from PubChem (CID 3025992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).