5-hydroxy-N-methyl-N-prop-2-enylpentan-1-amine oxide

C9H19NO2 — CID 54048080

IUPAC5-hydroxy-N-methyl-N-prop-2-enylpentan-1-amine oxide
SMILESC=CC[N+](C)([O-])CCCCCO
InChIInChI=1S/C9H19NO2/c1-3-7-10(2,12)8-5-4-6-9-11/h3,11H,1,4-9H2,2H3
InChIKeyISWVKAPOVNZZHZ-UHFFFAOYSA-N
MW173.26 g/mol
LogP1.28
Rot. Bonds7

About 5-hydroxy-N-methyl-N-prop-2-enylpentan-1-amine oxide

5-hydroxy-N-methyl-N-prop-2-enylpentan-1-amine oxide (PubChem CID 54048080) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is 5-hydroxy-N-methyl-N-prop-2-enylpentan-1-amine oxide.

Molecular Properties

Compound Name5-hydroxy-N-methyl-N-prop-2-enylpentan-1-amine oxide
PubChem CID54048080
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name5-hydroxy-N-methyl-N-prop-2-enylpentan-1-amine oxide
SMILESC=CC[N+](C)([O-])CCCCCO
InChIInChI=1S/C9H19NO2/c1-3-7-10(2,12)8-5-4-6-9-11/h3,11H,1,4-9H2,2H3
InChIKeyISWVKAPOVNZZHZ-UHFFFAOYSA-N
XLogP1.28
TPSA43.29 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

N-ethyl-6-hydroxy-N-prop-2-enylhexan-1-amine oxide
CID 53905213
5-[Methyl(prop-2-enyl)amino]pentan-1-ol
CID 57044120
Ethyl-(5-hydroxypentyl)-methyl-prop-2-enylazanium
CID 57232493
1-[1-Hydroxyhexyl(prop-2-enyl)amino]hexan-1-ol
CID 87378050
1-hydroxy-N-(1-hydroxypropyl)-N-prop-2-enylpropan-1-amine oxide
CID 87575823
2-hydroxy-N-(2-hydroxypentyl)-N-prop-2-enylpentan-1-amine oxide
CID 135338136
5-[Bis(prop-2-enyl)amino]pentan-1-ol
CID 173421767
5-[But-3-enyl(methyl)amino]pentan-1-ol
CID 102848909
5-[[(E)-but-2-enyl]-methylamino]pentan-1-ol
CID 107203868
5-(2,5-Dihydropyrrol-1-yl)pentan-1-ol
CID 107319606
5-[2-Hydroxyethyl(prop-2-enyl)amino]pentan-1-ol
CID 115633478
5-Hydroxypentyl-dimethyl-prop-2-enylazanium
CID 122227405

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-N-methyl-N-prop-2-enylpentan-1-amine oxide?
The IUPAC name of 5-hydroxy-N-methyl-N-prop-2-enylpentan-1-amine oxide (CID 54048080) is 5-hydroxy-N-methyl-N-prop-2-enylpentan-1-amine oxide.
What is the SMILES notation for 5-hydroxy-N-methyl-N-prop-2-enylpentan-1-amine oxide?
The canonical SMILES for 5-hydroxy-N-methyl-N-prop-2-enylpentan-1-amine oxide is C=CC[N+](C)([O-])CCCCCO.
What is the InChIKey of 5-hydroxy-N-methyl-N-prop-2-enylpentan-1-amine oxide?
The InChIKey is ISWVKAPOVNZZHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-3-7-10(2,12)8-5-4-6-9-11/h3,11H,1,4-9H2,2H3.
What are the key properties of 5-hydroxy-N-methyl-N-prop-2-enylpentan-1-amine oxide?
5-hydroxy-N-methyl-N-prop-2-enylpentan-1-amine oxide has a molecular weight of 173.26 g/mol, XLogP of 1.28, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-N-methyl-N-prop-2-enylpentan-1-amine oxide is sourced from PubChem (CID 54048080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).