butoxymethyl-decyl-dimethylazanium

C17H38NO+ — CID 10494975

IUPACbutoxymethyl-decyl-dimethylazanium
SMILESCCCCCCCCCC[N+](C)(C)COCCCC
InChIInChI=1S/C17H38NO/c1-5-7-9-10-11-12-13-14-15-18(3,4)17-19-16-8-6-2/h5-17H2,1-4H3/q+1
InChIKeyCITMPJHLMPFOBV-UHFFFAOYSA-N
MW272.50 g/mol
LogP4.98
Rot. Bonds14

About butoxymethyl-decyl-dimethylazanium

butoxymethyl-decyl-dimethylazanium (PubChem CID 10494975) has the molecular formula C17H38NO+ and a molecular weight of 272.50 g/mol. Its IUPAC name is butoxymethyl-decyl-dimethylazanium.

Molecular Properties

Compound Namebutoxymethyl-decyl-dimethylazanium
PubChem CID10494975
Molecular FormulaC17H38NO+
Molecular Weight272.50 g/mol
Exact Mass272.29
IUPAC Namebutoxymethyl-decyl-dimethylazanium
SMILESCCCCCCCCCC[N+](C)(C)COCCCC
InChIInChI=1S/C17H38NO/c1-5-7-9-10-11-12-13-14-15-18(3,4)17-19-16-8-6-2/h5-17H2,1-4H3/q+1
InChIKeyCITMPJHLMPFOBV-UHFFFAOYSA-N
XLogP4.98
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.50
LogP ≤ 54.98
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
dodecyl-dimethyl-(nonoxymethyl)azanium chloride
CID 3025992
dimethyl-octyl-(propoxymethyl)azanium chloride
CID 10825613
dodecoxymethyl-(3-hydroxypropyl)-dimethylazanium chloride
CID 11382153
hexoxymethyl-(2-hydroxyethyl)-dimethylazanium chloride
CID 11299429
decyl-(2-ethylbutoxymethyl)-dimethylazanium
CID 10544800
decyl-[5-[decyl(dimethyl)azaniumyl]pentyl]-dimethylazanium
CID 12958282
decyl-[12-[decyl(dimethyl)azaniumyl]dodecyl]-dimethylazanium
CID 12958288
icosyl-[6-[icosyl(dimethyl)azaniumyl]hexyl]-dimethylazanium
CID 154725315
dodecyl-dimethyl-undecylazanium
CID 21491028
decyl-hexadecyl-dimethylazanium
CID 102585787
dimethyl-octadecyl-tricosylazanium
CID 158669819

Frequently Asked Questions

What is the IUPAC name of butoxymethyl-decyl-dimethylazanium?
The IUPAC name of butoxymethyl-decyl-dimethylazanium (CID 10494975) is butoxymethyl-decyl-dimethylazanium.
What is the SMILES notation for butoxymethyl-decyl-dimethylazanium?
The canonical SMILES for butoxymethyl-decyl-dimethylazanium is CCCCCCCCCC[N+](C)(C)COCCCC.
What is the InChIKey of butoxymethyl-decyl-dimethylazanium?
The InChIKey is CITMPJHLMPFOBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H38NO/c1-5-7-9-10-11-12-13-14-15-18(3,4)17-19-16-8-6-2/h5-17H2,1-4H3/q+1.
What are the key properties of butoxymethyl-decyl-dimethylazanium?
butoxymethyl-decyl-dimethylazanium has a molecular weight of 272.50 g/mol, XLogP of 4.98, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butoxymethyl-decyl-dimethylazanium is sourced from PubChem (CID 10494975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).