3-(methylaminooxy)pentan-3-amine

C6H16N2O — CID 163637142

IUPAC3-(methylaminooxy)pentan-3-amine
SMILESCCC(N)(CC)ONC
InChIInChI=1S/C6H16N2O/c1-4-6(7,5-2)9-8-3/h8H,4-5,7H2,1-3H3
InChIKeyIBDIEVUUAXULNE-UHFFFAOYSA-N
MW132.21 g/mol
LogP0.61
Rot. Bonds4

About 3-(methylaminooxy)pentan-3-amine

3-(methylaminooxy)pentan-3-amine (PubChem CID 163637142) has the molecular formula C6H16N2O and a molecular weight of 132.21 g/mol. Its IUPAC name is 3-(methylaminooxy)pentan-3-amine.

Molecular Properties

Compound Name3-(methylaminooxy)pentan-3-amine
PubChem CID163637142
Molecular FormulaC6H16N2O
Molecular Weight132.21 g/mol
Exact Mass132.13
IUPAC Name3-(methylaminooxy)pentan-3-amine
SMILESCCC(N)(CC)ONC
InChIInChI=1S/C6H16N2O/c1-4-6(7,5-2)9-8-3/h8H,4-5,7H2,1-3H3
InChIKeyIBDIEVUUAXULNE-UHFFFAOYSA-N
XLogP0.61
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.21
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', '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 3-(methylaminooxy)pentan-3-amine?
The IUPAC name of 3-(methylaminooxy)pentan-3-amine (CID 163637142) is 3-(methylaminooxy)pentan-3-amine.
What is the SMILES notation for 3-(methylaminooxy)pentan-3-amine?
The canonical SMILES for 3-(methylaminooxy)pentan-3-amine is CCC(N)(CC)ONC.
What is the InChIKey of 3-(methylaminooxy)pentan-3-amine?
The InChIKey is IBDIEVUUAXULNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N2O/c1-4-6(7,5-2)9-8-3/h8H,4-5,7H2,1-3H3.
What are the key properties of 3-(methylaminooxy)pentan-3-amine?
3-(methylaminooxy)pentan-3-amine has a molecular weight of 132.21 g/mol, XLogP of 0.61, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylaminooxy)pentan-3-amine is sourced from PubChem (CID 163637142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).