1-(dimethylaminooxy)-N-methylpropan-1-amine

C6H16N2O — CID 54330019

IUPAC1-(dimethylaminooxy)-N-methylpropan-1-amine
SMILESCCC(NC)ON(C)C
InChIInChI=1S/C6H16N2O/c1-5-6(7-2)9-8(3)4/h6-7H,5H2,1-4H3
InChIKeySXRGFSLAWCNTDT-UHFFFAOYSA-N
MW132.21 g/mol
LogP0.44
Rot. Bonds4

About 1-(dimethylaminooxy)-N-methylpropan-1-amine

1-(dimethylaminooxy)-N-methylpropan-1-amine (PubChem CID 54330019) has the molecular formula C6H16N2O and a molecular weight of 132.21 g/mol. Its IUPAC name is 1-(dimethylaminooxy)-N-methylpropan-1-amine.

Molecular Properties

Compound Name1-(dimethylaminooxy)-N-methylpropan-1-amine
PubChem CID54330019
Molecular FormulaC6H16N2O
Molecular Weight132.21 g/mol
Exact Mass132.13
IUPAC Name1-(dimethylaminooxy)-N-methylpropan-1-amine
SMILESCCC(NC)ON(C)C
InChIInChI=1S/C6H16N2O/c1-5-6(7-2)9-8(3)4/h6-7H,5H2,1-4H3
InChIKeySXRGFSLAWCNTDT-UHFFFAOYSA-N
XLogP0.44
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.21
LogP ≤ 50.44
H-Bond Donors ≤ 51
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 1-(dimethylaminooxy)-N-methylpropan-1-amine?
The IUPAC name of 1-(dimethylaminooxy)-N-methylpropan-1-amine (CID 54330019) is 1-(dimethylaminooxy)-N-methylpropan-1-amine.
What is the SMILES notation for 1-(dimethylaminooxy)-N-methylpropan-1-amine?
The canonical SMILES for 1-(dimethylaminooxy)-N-methylpropan-1-amine is CCC(NC)ON(C)C.
What is the InChIKey of 1-(dimethylaminooxy)-N-methylpropan-1-amine?
The InChIKey is SXRGFSLAWCNTDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N2O/c1-5-6(7-2)9-8(3)4/h6-7H,5H2,1-4H3.
What are the key properties of 1-(dimethylaminooxy)-N-methylpropan-1-amine?
1-(dimethylaminooxy)-N-methylpropan-1-amine has a molecular weight of 132.21 g/mol, XLogP of 0.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylaminooxy)-N-methylpropan-1-amine is sourced from PubChem (CID 54330019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).