hydroxy-dimethyl-tetradecan-3-ylazanium

C16H36NO+ — CID 87744782

IUPAChydroxy-dimethyl-tetradecan-3-ylazanium
SMILESCCCCCCCCCCCC(CC)[N+](C)(C)O
InChIInChI=1S/C16H36NO/c1-5-7-8-9-10-11-12-13-14-15-16(6-2)17(3,4)18/h16,18H,5-15H2,1-4H3/q+1
InChIKeyCMEBXBPXMHNUJD-UHFFFAOYSA-N
MW258.47 g/mol
LogP5.15
Rot. Bonds12

About hydroxy-dimethyl-tetradecan-3-ylazanium

hydroxy-dimethyl-tetradecan-3-ylazanium (PubChem CID 87744782) has the molecular formula C16H36NO+ and a molecular weight of 258.47 g/mol. Its IUPAC name is hydroxy-dimethyl-tetradecan-3-ylazanium.

Molecular Properties

Compound Namehydroxy-dimethyl-tetradecan-3-ylazanium
PubChem CID87744782
Molecular FormulaC16H36NO+
Molecular Weight258.47 g/mol
Exact Mass258.28
IUPAC Namehydroxy-dimethyl-tetradecan-3-ylazanium
SMILESCCCCCCCCCCCC(CC)[N+](C)(C)O
InChIInChI=1S/C16H36NO/c1-5-7-8-9-10-11-12-13-14-15-16(6-2)17(3,4)18/h16,18H,5-15H2,1-4H3/q+1
InChIKeyCMEBXBPXMHNUJD-UHFFFAOYSA-N
XLogP5.15
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500258.47
LogP ≤ 55.15
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

dodecan-3-yl-diethyl-hydroxyazanium
CID 87744020
docosan-3-yl(trimethyl)azanium chloride
CID 87279743
decan-3-yl-ethyl-dihydroxyazanium chloride
CID 87744232
diethyl-hydroxy-icosan-3-ylazanium chloride
CID 87744322
diethyl-hydroxy-tetradecan-3-ylazanium chloride
CID 87744694
dimethyl-di(octan-3-yl)azanium
CID 155126039
N,N-dimethyltetradecan-3-amine oxide
CID 88695896
dimethyl-octadecyl-octan-3-ylazanium
CID 22995160
2-hydroxyethyl-methyl-di(octadecan-3-yl)azanium
CID 22993215
trimethyl(octadecan-9-yl)azanium chloride
CID 86184812
1-hydroxyicosan-2-yl(trimethyl)azanium
CID 122612180
tris-decyl(dodecan-3-yl)azanium
CID 157450387

Frequently Asked Questions

What is the IUPAC name of hydroxy-dimethyl-tetradecan-3-ylazanium?
The IUPAC name of hydroxy-dimethyl-tetradecan-3-ylazanium (CID 87744782) is hydroxy-dimethyl-tetradecan-3-ylazanium.
What is the SMILES notation for hydroxy-dimethyl-tetradecan-3-ylazanium?
The canonical SMILES for hydroxy-dimethyl-tetradecan-3-ylazanium is CCCCCCCCCCCC(CC)[N+](C)(C)O.
What is the InChIKey of hydroxy-dimethyl-tetradecan-3-ylazanium?
The InChIKey is CMEBXBPXMHNUJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36NO/c1-5-7-8-9-10-11-12-13-14-15-16(6-2)17(3,4)18/h16,18H,5-15H2,1-4H3/q+1.
What are the key properties of hydroxy-dimethyl-tetradecan-3-ylazanium?
hydroxy-dimethyl-tetradecan-3-ylazanium has a molecular weight of 258.47 g/mol, XLogP of 5.15, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-dimethyl-tetradecan-3-ylazanium is sourced from PubChem (CID 87744782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).