O-[2-(1,2,3,6-tetrahydropyridin-5-yl)ethyl]hydroxylamine

C7H14N2O — CID 117205861

IUPACO-[2-(1,2,3,6-tetrahydropyridin-5-yl)ethyl]hydroxylamine
SMILESNOCCC1=CCCNC1
InChIInChI=1S/C7H14N2O/c8-10-5-3-7-2-1-4-9-6-7/h2,9H,1,3-6,8H2
InChIKeyKYOLCLJDMWWNCF-UHFFFAOYSA-N
MW142.20 g/mol
LogP0.19
Rot. Bonds3

About O-[2-(1,2,3,6-tetrahydropyridin-5-yl)ethyl]hydroxylamine

O-[2-(1,2,3,6-tetrahydropyridin-5-yl)ethyl]hydroxylamine (PubChem CID 117205861) has the molecular formula C7H14N2O and a molecular weight of 142.20 g/mol. Its IUPAC name is O-[2-(1,2,3,6-tetrahydropyridin-5-yl)ethyl]hydroxylamine.

Molecular Properties

Compound NameO-[2-(1,2,3,6-tetrahydropyridin-5-yl)ethyl]hydroxylamine
PubChem CID117205861
Molecular FormulaC7H14N2O
Molecular Weight142.20 g/mol
Exact Mass142.11
IUPAC NameO-[2-(1,2,3,6-tetrahydropyridin-5-yl)ethyl]hydroxylamine
SMILESNOCCC1=CCCNC1
InChIInChI=1S/C7H14N2O/c8-10-5-3-7-2-1-4-9-6-7/h2,9H,1,3-6,8H2
InChIKeyKYOLCLJDMWWNCF-UHFFFAOYSA-N
XLogP0.19
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of O-[2-(1,2,3,6-tetrahydropyridin-5-yl)ethyl]hydroxylamine?
The IUPAC name of O-[2-(1,2,3,6-tetrahydropyridin-5-yl)ethyl]hydroxylamine (CID 117205861) is O-[2-(1,2,3,6-tetrahydropyridin-5-yl)ethyl]hydroxylamine.
What is the SMILES notation for O-[2-(1,2,3,6-tetrahydropyridin-5-yl)ethyl]hydroxylamine?
The canonical SMILES for O-[2-(1,2,3,6-tetrahydropyridin-5-yl)ethyl]hydroxylamine is NOCCC1=CCCNC1.
What is the InChIKey of O-[2-(1,2,3,6-tetrahydropyridin-5-yl)ethyl]hydroxylamine?
The InChIKey is KYOLCLJDMWWNCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O/c8-10-5-3-7-2-1-4-9-6-7/h2,9H,1,3-6,8H2.
What are the key properties of O-[2-(1,2,3,6-tetrahydropyridin-5-yl)ethyl]hydroxylamine?
O-[2-(1,2,3,6-tetrahydropyridin-5-yl)ethyl]hydroxylamine has a molecular weight of 142.20 g/mol, XLogP of 0.19, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for O-[2-(1,2,3,6-tetrahydropyridin-5-yl)ethyl]hydroxylamine is sourced from PubChem (CID 117205861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).