dimethyl-octyl-(propoxymethyl)azanium chloride

C14H32ClNO — CID 10825613

IUPACdimethyl-octyl-(propoxymethyl)azanium chloride
SMILESCCCCCCCC[N+](C)(C)COCCC.[Cl-]
InChIInChI=1S/C14H32NO.ClH/c1-5-7-8-9-10-11-12-15(3,4)14-16-13-6-2;/h5-14H2,1-4H3;1H/q+1;/p-1
InChIKeyWQTOJVMJVBXFHE-UHFFFAOYSA-M
MW265.87 g/mol
LogP0.81
Rot. Bonds11

About dimethyl-octyl-(propoxymethyl)azanium chloride

dimethyl-octyl-(propoxymethyl)azanium chloride (PubChem CID 10825613) has the molecular formula C14H32ClNO and a molecular weight of 265.87 g/mol. Its IUPAC name is dimethyl-octyl-(propoxymethyl)azanium chloride.

Molecular Properties

Compound Namedimethyl-octyl-(propoxymethyl)azanium chloride
PubChem CID10825613
Molecular FormulaC14H32ClNO
Molecular Weight265.87 g/mol
Exact Mass265.22
IUPAC Namedimethyl-octyl-(propoxymethyl)azanium chloride
SMILESCCCCCCCC[N+](C)(C)COCCC.[Cl-]
InChIInChI=1S/C14H32NO.ClH/c1-5-7-8-9-10-11-12-15(3,4)14-16-13-6-2;/h5-14H2,1-4H3;1H/q+1;/p-1
InChIKeyWQTOJVMJVBXFHE-UHFFFAOYSA-M
XLogP0.81
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.87
LogP ≤ 50.81
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

dodecyl-dimethyl-(nonoxymethyl)azanium chloride
CID 3025992
butoxymethyl-decyl-dimethylazanium
CID 10494975
decyl-dimethyl-(octoxymethyl)azanium
CID 10406436
dodecoxymethyl-(3-hydroxypropyl)-dimethylazanium chloride
CID 11382153
hexoxymethyl-(2-hydroxyethyl)-dimethylazanium chloride
CID 11299429
hexyl-icosyl-dimethylazanium chloride
CID 141083999
decyl-hexyl-dimethylazanium chloride
CID 19369138
bis(hexadecyl-dimethyl-octadecylazanium) dichloride
CID 141075415
decyl-dimethyl-nonylazanium chloride
CID 23185420
decyl-(2-ethylbutoxymethyl)-dimethylazanium
CID 10544800
decyl-dimethyl-(2-methylpentoxymethyl)azanium chloride
CID 10640566
decyl-[5-[decyl(dimethyl)azaniumyl]pentyl]-dimethylazanium
CID 12958282

Frequently Asked Questions

What is the IUPAC name of dimethyl-octyl-(propoxymethyl)azanium chloride?
The IUPAC name of dimethyl-octyl-(propoxymethyl)azanium chloride (CID 10825613) is dimethyl-octyl-(propoxymethyl)azanium chloride.
What is the SMILES notation for dimethyl-octyl-(propoxymethyl)azanium chloride?
The canonical SMILES for dimethyl-octyl-(propoxymethyl)azanium chloride is CCCCCCCC[N+](C)(C)COCCC.[Cl-].
What is the InChIKey of dimethyl-octyl-(propoxymethyl)azanium chloride?
The InChIKey is WQTOJVMJVBXFHE-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H32NO.ClH/c1-5-7-8-9-10-11-12-15(3,4)14-16-13-6-2;/h5-14H2,1-4H3;1H/q+1;/p-1.
What are the key properties of dimethyl-octyl-(propoxymethyl)azanium chloride?
dimethyl-octyl-(propoxymethyl)azanium chloride has a molecular weight of 265.87 g/mol, XLogP of 0.81, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-octyl-(propoxymethyl)azanium chloride is sourced from PubChem (CID 10825613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).