bis(1-hydroxyethyl)azanium;8-methylnonan-1-olate

C14H33NO3 — CID 171084572

IUPACbis(1-hydroxyethyl)azanium;8-methylnonan-1-olate
SMILESCC(C)CCCCCCC[O-].CC(O)[NH2+]C(C)O
InChIInChI=1S/C10H21O.C4H11NO2/c1-10(2)8-6-4-3-5-7-9-11;1-3(6)5-4(2)7/h10H,3-9H2,1-2H3;3-7H,1-2H3/q-1;/p+1
InChIKeyRUQSVYUQCQUWQS-UHFFFAOYSA-O
MW263.42 g/mol
LogP0.57
Rot. Bonds9

About bis(1-hydroxyethyl)azanium;8-methylnonan-1-olate

bis(1-hydroxyethyl)azanium;8-methylnonan-1-olate (PubChem CID 171084572) has the molecular formula C14H33NO3 and a molecular weight of 263.42 g/mol. Its IUPAC name is bis(1-hydroxyethyl)azanium;8-methylnonan-1-olate.

Molecular Properties

Compound Namebis(1-hydroxyethyl)azanium;8-methylnonan-1-olate
PubChem CID171084572
Molecular FormulaC14H33NO3
Molecular Weight263.42 g/mol
Exact Mass263.25
IUPAC Namebis(1-hydroxyethyl)azanium;8-methylnonan-1-olate
SMILESCC(C)CCCCCCC[O-].CC(O)[NH2+]C(C)O
InChIInChI=1S/C10H21O.C4H11NO2/c1-10(2)8-6-4-3-5-7-9-11;1-3(6)5-4(2)7/h10H,3-9H2,1-2H3;3-7H,1-2H3/q-1;/p+1
InChIKeyRUQSVYUQCQUWQS-UHFFFAOYSA-O
XLogP0.57
TPSA80.13 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.42
LogP ≤ 50.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

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(2S)-24-methylpentacosane-1,2-diol
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(3R)-10-methylundecan-3-ol
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2,34-dimethylpentatriacontan-18-yl(oxido)azanium
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CID 172760633
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(2R)-1,1,1-trifluoro-7-methyloctan-2-ol
CID 18396357
17-methyloctadecane-1,11-diol
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2,3,10-trimethylundecan-4-ol
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Frequently Asked Questions

What is the IUPAC name of bis(1-hydroxyethyl)azanium;8-methylnonan-1-olate?
The IUPAC name of bis(1-hydroxyethyl)azanium;8-methylnonan-1-olate (CID 171084572) is bis(1-hydroxyethyl)azanium;8-methylnonan-1-olate.
What is the SMILES notation for bis(1-hydroxyethyl)azanium;8-methylnonan-1-olate?
The canonical SMILES for bis(1-hydroxyethyl)azanium;8-methylnonan-1-olate is CC(C)CCCCCCC[O-].CC(O)[NH2+]C(C)O.
What is the InChIKey of bis(1-hydroxyethyl)azanium;8-methylnonan-1-olate?
The InChIKey is RUQSVYUQCQUWQS-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H21O.C4H11NO2/c1-10(2)8-6-4-3-5-7-9-11;1-3(6)5-4(2)7/h10H,3-9H2,1-2H3;3-7H,1-2H3/q-1;/p+1.
What are the key properties of bis(1-hydroxyethyl)azanium;8-methylnonan-1-olate?
bis(1-hydroxyethyl)azanium;8-methylnonan-1-olate has a molecular weight of 263.42 g/mol, XLogP of 0.57, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-hydroxyethyl)azanium;8-methylnonan-1-olate is sourced from PubChem (CID 171084572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).