O-(1,2,3,6-tetrahydropyridin-5-ylmethyl)hydroxylamine

C6H12N2O — CID 117206004

IUPACO-(1,2,3,6-tetrahydropyridin-5-ylmethyl)hydroxylamine
SMILESNOCC1=CCCNC1
InChIInChI=1S/C6H12N2O/c7-9-5-6-2-1-3-8-4-6/h2,8H,1,3-5,7H2
InChIKeyXXMUUWJQRSXUNL-UHFFFAOYSA-N
MW128.17 g/mol
LogP-0.20
Rot. Bonds2

About O-(1,2,3,6-tetrahydropyridin-5-ylmethyl)hydroxylamine

O-(1,2,3,6-tetrahydropyridin-5-ylmethyl)hydroxylamine (PubChem CID 117206004) has the molecular formula C6H12N2O and a molecular weight of 128.17 g/mol. Its IUPAC name is O-(1,2,3,6-tetrahydropyridin-5-ylmethyl)hydroxylamine.

Molecular Properties

Compound NameO-(1,2,3,6-tetrahydropyridin-5-ylmethyl)hydroxylamine
PubChem CID117206004
Molecular FormulaC6H12N2O
Molecular Weight128.17 g/mol
Exact Mass128.09
IUPAC NameO-(1,2,3,6-tetrahydropyridin-5-ylmethyl)hydroxylamine
SMILESNOCC1=CCCNC1
InChIInChI=1S/C6H12N2O/c7-9-5-6-2-1-3-8-4-6/h2,8H,1,3-5,7H2
InChIKeyXXMUUWJQRSXUNL-UHFFFAOYSA-N
XLogP-0.20
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 5-0.20
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-(1,2,3,6-tetrahydropyridin-5-ylmethyl)hydroxylamine?
The IUPAC name of O-(1,2,3,6-tetrahydropyridin-5-ylmethyl)hydroxylamine (CID 117206004) is O-(1,2,3,6-tetrahydropyridin-5-ylmethyl)hydroxylamine.
What is the SMILES notation for O-(1,2,3,6-tetrahydropyridin-5-ylmethyl)hydroxylamine?
The canonical SMILES for O-(1,2,3,6-tetrahydropyridin-5-ylmethyl)hydroxylamine is NOCC1=CCCNC1.
What is the InChIKey of O-(1,2,3,6-tetrahydropyridin-5-ylmethyl)hydroxylamine?
The InChIKey is XXMUUWJQRSXUNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O/c7-9-5-6-2-1-3-8-4-6/h2,8H,1,3-5,7H2.
What are the key properties of O-(1,2,3,6-tetrahydropyridin-5-ylmethyl)hydroxylamine?
O-(1,2,3,6-tetrahydropyridin-5-ylmethyl)hydroxylamine has a molecular weight of 128.17 g/mol, XLogP of -0.20, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for O-(1,2,3,6-tetrahydropyridin-5-ylmethyl)hydroxylamine is sourced from PubChem (CID 117206004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).