2-hydroxypropyl(propyl)azanium hydroxide

C6H17NO2 — CID 158908409

IUPAC2-hydroxypropyl(propyl)azanium hydroxide
SMILESCCC[NH2+]CC(C)O.[OH-]
InChIInChI=1S/C6H15NO.H2O/c1-3-4-7-5-6(2)8;/h6-8H,3-5H2,1-2H3;1H2
InChIKeyRVNVSXIUIDARCQ-UHFFFAOYSA-N
MW135.21 g/mol
LogP-0.84
Rot. Bonds4

About 2-hydroxypropyl(propyl)azanium hydroxide

2-hydroxypropyl(propyl)azanium hydroxide (PubChem CID 158908409) has the molecular formula C6H17NO2 and a molecular weight of 135.21 g/mol. Its IUPAC name is 2-hydroxypropyl(propyl)azanium hydroxide.

Molecular Properties

Compound Name2-hydroxypropyl(propyl)azanium hydroxide
PubChem CID158908409
Molecular FormulaC6H17NO2
Molecular Weight135.21 g/mol
Exact Mass135.13
IUPAC Name2-hydroxypropyl(propyl)azanium hydroxide
SMILESCCC[NH2+]CC(C)O.[OH-]
InChIInChI=1S/C6H15NO.H2O/c1-3-4-7-5-6(2)8;/h6-8H,3-5H2,1-2H3;1H2
InChIKeyRVNVSXIUIDARCQ-UHFFFAOYSA-N
XLogP-0.84
TPSA66.84 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.21
LogP ≤ 5-0.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-azaniumylethyl(2-hydroxypropyl)azanium
CID 153316929
2,2-dihydroxyethyl(propyl)azanium;2-hydroxypropanoate
CID 159125761
ethyl-[(2S)-3-[3-[[(2S)-3-(ethylazaniumyl)-2-hydroxypropyl]azaniumyl]propylazaniumyl]-2-hydroxypropyl]azanium tetrachloride
CID 10693501
(1-hydroxy-2-methylpropyl)-propylazanium bromide
CID 141044082
[(2R)-2-hydroxypropyl]-[2-[(5-methylthiophen-2-yl)methylazaniumyl]ethyl]azanium
CID 7458609
bis(2-hydroxypropyl)azanium;methyl sulfate
CID 141218286
(2R)-pentan-2-ol
CID 7014876
[2-(2,6-dioxopiperidin-4-yl)-2-hydroxyethyl]-propylazanium chloride
CID 110174803
[(2S)-2-hydroxypropyl]-[3-(4-methylphenyl)sulfanylpropyl]azanium
CID 2233190
2-(2-fluorophenoxy)ethyl-[(2R)-2-hydroxypropyl]azanium
CID 2232105
1-hydroxyethyl(tripropyl)azanium hydroxide
CID 88798296
heptane-2,4-diol
CID 161420509

Frequently Asked Questions

What is the IUPAC name of 2-hydroxypropyl(propyl)azanium hydroxide?
The IUPAC name of 2-hydroxypropyl(propyl)azanium hydroxide (CID 158908409) is 2-hydroxypropyl(propyl)azanium hydroxide.
What is the SMILES notation for 2-hydroxypropyl(propyl)azanium hydroxide?
The canonical SMILES for 2-hydroxypropyl(propyl)azanium hydroxide is CCC[NH2+]CC(C)O.[OH-].
What is the InChIKey of 2-hydroxypropyl(propyl)azanium hydroxide?
The InChIKey is RVNVSXIUIDARCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO.H2O/c1-3-4-7-5-6(2)8;/h6-8H,3-5H2,1-2H3;1H2.
What are the key properties of 2-hydroxypropyl(propyl)azanium hydroxide?
2-hydroxypropyl(propyl)azanium hydroxide has a molecular weight of 135.21 g/mol, XLogP of -0.84, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxypropyl(propyl)azanium hydroxide is sourced from PubChem (CID 158908409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).