triethyl-[1-hydroxy-6-(hydroxymethyl)octan-4-yl]azanium

C15H34NO2+ — CID 141455396

IUPACtriethyl-[1-hydroxy-6-(hydroxymethyl)octan-4-yl]azanium
SMILESCCC(CO)CC(CCCO)[N+](CC)(CC)CC
InChIInChI=1S/C15H34NO2/c1-5-14(13-18)12-15(10-9-11-17)16(6-2,7-3)8-4/h14-15,17-18H,5-13H2,1-4H3/q+1
InChIKeyCNTNZEUKPYGMSQ-UHFFFAOYSA-N
MW260.44 g/mol
LogP2.41
Rot. Bonds11

About triethyl-[1-hydroxy-6-(hydroxymethyl)octan-4-yl]azanium

triethyl-[1-hydroxy-6-(hydroxymethyl)octan-4-yl]azanium (PubChem CID 141455396) has the molecular formula C15H34NO2+ and a molecular weight of 260.44 g/mol. Its IUPAC name is triethyl-[1-hydroxy-6-(hydroxymethyl)octan-4-yl]azanium.

Molecular Properties

Compound Nametriethyl-[1-hydroxy-6-(hydroxymethyl)octan-4-yl]azanium
PubChem CID141455396
Molecular FormulaC15H34NO2+
Molecular Weight260.44 g/mol
Exact Mass260.26
IUPAC Nametriethyl-[1-hydroxy-6-(hydroxymethyl)octan-4-yl]azanium
SMILESCCC(CO)CC(CCCO)[N+](CC)(CC)CC
InChIInChI=1S/C15H34NO2/c1-5-14(13-18)12-15(10-9-11-17)16(6-2,7-3)8-4/h14-15,17-18H,5-13H2,1-4H3/q+1
InChIKeyCNTNZEUKPYGMSQ-UHFFFAOYSA-N
XLogP2.41
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.44
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,4-diethylpentane-1,5-diol;hexane-1,6-diol
CID 139343033
(3R)-3-ethylhexane-1,6-diol
CID 118889856
3,6-diethylnonane-1,9-diol
CID 19787583
2-ethylpropane-1,3-diol;propane-1,3-diol
CID 137407885
8-ethyl-4-(2-hydroxyethyl)dodecane-1,12-diol
CID 170925289
(3S)-3-ethyloctane-1,8-diol
CID 118889766
10-ethyldodecan-1-ol
CID 18475243
4-ethyl-2,7-dimethylnonane-1,9-diol
CID 91142814
2-ethyl-4-methylnonan-1-ol
CID 21358744
acetic acid;2-ethylhexane-1,6-diol
CID 175223749
4-ethyltridecan-1-ol
CID 20550506
4-ethyldecan-1-ol
CID 91002231

Frequently Asked Questions

What is the IUPAC name of triethyl-[1-hydroxy-6-(hydroxymethyl)octan-4-yl]azanium?
The IUPAC name of triethyl-[1-hydroxy-6-(hydroxymethyl)octan-4-yl]azanium (CID 141455396) is triethyl-[1-hydroxy-6-(hydroxymethyl)octan-4-yl]azanium.
What is the SMILES notation for triethyl-[1-hydroxy-6-(hydroxymethyl)octan-4-yl]azanium?
The canonical SMILES for triethyl-[1-hydroxy-6-(hydroxymethyl)octan-4-yl]azanium is CCC(CO)CC(CCCO)[N+](CC)(CC)CC.
What is the InChIKey of triethyl-[1-hydroxy-6-(hydroxymethyl)octan-4-yl]azanium?
The InChIKey is CNTNZEUKPYGMSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H34NO2/c1-5-14(13-18)12-15(10-9-11-17)16(6-2,7-3)8-4/h14-15,17-18H,5-13H2,1-4H3/q+1.
What are the key properties of triethyl-[1-hydroxy-6-(hydroxymethyl)octan-4-yl]azanium?
triethyl-[1-hydroxy-6-(hydroxymethyl)octan-4-yl]azanium has a molecular weight of 260.44 g/mol, XLogP of 2.41, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-[1-hydroxy-6-(hydroxymethyl)octan-4-yl]azanium is sourced from PubChem (CID 141455396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).