hydroxy-bis(2-hydroxyethyl)-octadecylazanium

C22H48NO3+ — CID 123901300

IUPAChydroxy-bis(2-hydroxyethyl)-octadecylazanium
SMILESCCCCCCCCCCCCCCCCCC[N+](O)(CCO)CCO
InChIInChI=1S/C22H48NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(26,19-21-24)20-22-25/h24-26H,2-22H2,1H3/q+1
InChIKeyBFYWRGVYRKVXQN-UHFFFAOYSA-N
MW374.63 g/mol
LogP5.44
Rot. Bonds21

About hydroxy-bis(2-hydroxyethyl)-octadecylazanium

hydroxy-bis(2-hydroxyethyl)-octadecylazanium (PubChem CID 123901300) has the molecular formula C22H48NO3+ and a molecular weight of 374.63 g/mol. Its IUPAC name is hydroxy-bis(2-hydroxyethyl)-octadecylazanium.

Molecular Properties

Compound Namehydroxy-bis(2-hydroxyethyl)-octadecylazanium
PubChem CID123901300
Molecular FormulaC22H48NO3+
Molecular Weight374.63 g/mol
Exact Mass374.36
IUPAC Namehydroxy-bis(2-hydroxyethyl)-octadecylazanium
SMILESCCCCCCCCCCCCCCCCCC[N+](O)(CCO)CCO
InChIInChI=1S/C22H48NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(26,19-21-24)20-22-25/h24-26H,2-22H2,1H3/q+1
InChIKeyBFYWRGVYRKVXQN-UHFFFAOYSA-N
XLogP5.44
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds21
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.63
LogP ≤ 55.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

hexadecyl-hydroxy-dioctadecylazanium
CID 19073496
dihexadecyl-hydroxy-propylazanium
CID 87484361
dodecyl-bis(2-hydroxyethyl)-octylazanium
CID 23220556
diethyl-heptadecyl-hydroxyazanium
CID 158229667
tris(2-hydroxyethyl)-nonylazanium bromide
CID 175684736
tridodecyl(2-hydroxyethyl)azanium bromide
CID 19925944
tridodecyl(2-hydroxyethyl)azanium chloride
CID 19925946
dodecyl-[8-[dodecyl-bis(2-hydroxyethyl)azaniumyl]octyl]-bis(2-hydroxyethyl)azanium dibromide
CID 175685284
hexyl-(2-hydroxyethyl)-dipentylazanium iodide
CID 139955217
2-hydroxyethyl(trioctyl)azanium chloride
CID 19925949
decyl-tris(2-hydroxyethyl)azanium chloride
CID 14854094
trihexyl(2-hydroxyethyl)azanium iodide
CID 89439534

Frequently Asked Questions

What is the IUPAC name of hydroxy-bis(2-hydroxyethyl)-octadecylazanium?
The IUPAC name of hydroxy-bis(2-hydroxyethyl)-octadecylazanium (CID 123901300) is hydroxy-bis(2-hydroxyethyl)-octadecylazanium.
What is the SMILES notation for hydroxy-bis(2-hydroxyethyl)-octadecylazanium?
The canonical SMILES for hydroxy-bis(2-hydroxyethyl)-octadecylazanium is CCCCCCCCCCCCCCCCCC[N+](O)(CCO)CCO.
What is the InChIKey of hydroxy-bis(2-hydroxyethyl)-octadecylazanium?
The InChIKey is BFYWRGVYRKVXQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H48NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(26,19-21-24)20-22-25/h24-26H,2-22H2,1H3/q+1.
What are the key properties of hydroxy-bis(2-hydroxyethyl)-octadecylazanium?
hydroxy-bis(2-hydroxyethyl)-octadecylazanium has a molecular weight of 374.63 g/mol, XLogP of 5.44, 21 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-bis(2-hydroxyethyl)-octadecylazanium is sourced from PubChem (CID 123901300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).