tributyl(2-hydroxyethyl)azanium

C14H32NO+ — CID 3026648

IUPACtributyl(2-hydroxyethyl)azanium
SMILESCCCC[N+](CCO)(CCCC)CCCC
InChIInChI=1S/C14H32NO/c1-4-7-10-15(13-14-16,11-8-5-2)12-9-6-3/h16H,4-14H2,1-3H3/q+1
InChIKeyUCVGPWMKVFBRMN-UHFFFAOYSA-N
MW230.42 g/mol
LogP3.20
Rot. Bonds11

About tributyl(2-hydroxyethyl)azanium

tributyl(2-hydroxyethyl)azanium (PubChem CID 3026648) has the molecular formula C14H32NO+ and a molecular weight of 230.42 g/mol. Its IUPAC name is tributyl(2-hydroxyethyl)azanium.

Molecular Properties

Compound Nametributyl(2-hydroxyethyl)azanium
PubChem CID3026648
Molecular FormulaC14H32NO+
Molecular Weight230.42 g/mol
Exact Mass230.25
IUPAC Nametributyl(2-hydroxyethyl)azanium
SMILESCCCC[N+](CCO)(CCCC)CCCC
InChIInChI=1S/C14H32NO/c1-4-7-10-15(13-14-16,11-8-5-2)12-9-6-3/h16H,4-14H2,1-3H3/q+1
InChIKeyUCVGPWMKVFBRMN-UHFFFAOYSA-N
XLogP3.20
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.42
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tributyl(2-hydroxyethyl)azanium?
The IUPAC name of tributyl(2-hydroxyethyl)azanium (CID 3026648) is tributyl(2-hydroxyethyl)azanium.
What is the SMILES notation for tributyl(2-hydroxyethyl)azanium?
The canonical SMILES for tributyl(2-hydroxyethyl)azanium is CCCC[N+](CCO)(CCCC)CCCC.
What is the InChIKey of tributyl(2-hydroxyethyl)azanium?
The InChIKey is UCVGPWMKVFBRMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32NO/c1-4-7-10-15(13-14-16,11-8-5-2)12-9-6-3/h16H,4-14H2,1-3H3/q+1.
What are the key properties of tributyl(2-hydroxyethyl)azanium?
tributyl(2-hydroxyethyl)azanium has a molecular weight of 230.42 g/mol, XLogP of 3.20, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl(2-hydroxyethyl)azanium is sourced from PubChem (CID 3026648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).