O-[(3-butoxy-1,2-dihydropyridin-2-yl)methyl]hydroxylamine

C10H18N2O2 — CID 121367110

IUPACO-[(3-butoxy-1,2-dihydropyridin-2-yl)methyl]hydroxylamine
SMILESCCCCOC1=CC=CNC1CON
InChIInChI=1S/C10H18N2O2/c1-2-3-7-13-10-5-4-6-12-9(10)8-14-11/h4-6,9,12H,2-3,7-8,11H2,1H3
InChIKeyUIHKVDQXMXYLMZ-UHFFFAOYSA-N
MW198.27 g/mol
LogP1.06
Rot. Bonds6

About O-[(3-butoxy-1,2-dihydropyridin-2-yl)methyl]hydroxylamine

O-[(3-butoxy-1,2-dihydropyridin-2-yl)methyl]hydroxylamine (PubChem CID 121367110) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is O-[(3-butoxy-1,2-dihydropyridin-2-yl)methyl]hydroxylamine.

Molecular Properties

Compound NameO-[(3-butoxy-1,2-dihydropyridin-2-yl)methyl]hydroxylamine
PubChem CID121367110
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC NameO-[(3-butoxy-1,2-dihydropyridin-2-yl)methyl]hydroxylamine
SMILESCCCCOC1=CC=CNC1CON
InChIInChI=1S/C10H18N2O2/c1-2-3-7-13-10-5-4-6-12-9(10)8-14-11/h4-6,9,12H,2-3,7-8,11H2,1H3
InChIKeyUIHKVDQXMXYLMZ-UHFFFAOYSA-N
XLogP1.06
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(1,2-Dihydropyridin-2-ylmethoxy)ethanamine
CID 23320843
3-Ethoxy-2-methyl-1,2-dihydropyridine
CID 141774489
2-(Ethoxymethyl)-3-methoxy-1,2-dihydropyridine
CID 173057991
3-Methoxy-2-(methoxymethyl)-1,2-dihydropyridine
CID 173057993
2-Ethyl-3-propoxy-1,2-dihydropyridine
CID 173058048
3-(2-Methoxyethoxy)-2-methyl-1,2-dihydropyridine
CID 173058070
(3-Propan-2-yloxy-1,2-dihydropyridin-2-yl)methanol
CID 173058077
2-Methyl-3-propoxy-1,2-dihydropyridine
CID 173058092
(3-Ethoxy-1,2-dihydropyridin-2-yl)methanol
CID 173058105
2-(Methoxymethyl)-3-propan-2-yloxy-1,2-dihydropyridine
CID 173058107
2-(Dimethoxymethyl)-3-methoxy-1,2-dihydropyridine
CID 173058150
2-Methyl-3-propan-2-yloxy-1,2-dihydropyridine
CID 173058164

Frequently Asked Questions

What is the IUPAC name of O-[(3-butoxy-1,2-dihydropyridin-2-yl)methyl]hydroxylamine?
The IUPAC name of O-[(3-butoxy-1,2-dihydropyridin-2-yl)methyl]hydroxylamine (CID 121367110) is O-[(3-butoxy-1,2-dihydropyridin-2-yl)methyl]hydroxylamine.
What is the SMILES notation for O-[(3-butoxy-1,2-dihydropyridin-2-yl)methyl]hydroxylamine?
The canonical SMILES for O-[(3-butoxy-1,2-dihydropyridin-2-yl)methyl]hydroxylamine is CCCCOC1=CC=CNC1CON.
What is the InChIKey of O-[(3-butoxy-1,2-dihydropyridin-2-yl)methyl]hydroxylamine?
The InChIKey is UIHKVDQXMXYLMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-2-3-7-13-10-5-4-6-12-9(10)8-14-11/h4-6,9,12H,2-3,7-8,11H2,1H3.
What are the key properties of O-[(3-butoxy-1,2-dihydropyridin-2-yl)methyl]hydroxylamine?
O-[(3-butoxy-1,2-dihydropyridin-2-yl)methyl]hydroxylamine has a molecular weight of 198.27 g/mol, XLogP of 1.06, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for O-[(3-butoxy-1,2-dihydropyridin-2-yl)methyl]hydroxylamine is sourced from PubChem (CID 121367110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).