N,N-dimethyl-3-(methylaminooxy)propan-1-amine

C6H16N2O — CID 117126805

IUPACN,N-dimethyl-3-(methylaminooxy)propan-1-amine
SMILESCNOCCCN(C)C
InChIInChI=1S/C6H16N2O/c1-7-9-6-4-5-8(2)3/h7H,4-6H2,1-3H3
InChIKeyUWUZOMXFFYMFMA-UHFFFAOYSA-N
MW132.21 g/mol
LogP0.09
Rot. Bonds5

About N,N-dimethyl-3-(methylaminooxy)propan-1-amine

N,N-dimethyl-3-(methylaminooxy)propan-1-amine (PubChem CID 117126805) has the molecular formula C6H16N2O and a molecular weight of 132.21 g/mol. Its IUPAC name is N,N-dimethyl-3-(methylaminooxy)propan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-(methylaminooxy)propan-1-amine
PubChem CID117126805
Molecular FormulaC6H16N2O
Molecular Weight132.21 g/mol
Exact Mass132.13
IUPAC NameN,N-dimethyl-3-(methylaminooxy)propan-1-amine
SMILESCNOCCCN(C)C
InChIInChI=1S/C6H16N2O/c1-7-9-6-4-5-8(2)3/h7H,4-6H2,1-3H3
InChIKeyUWUZOMXFFYMFMA-UHFFFAOYSA-N
XLogP0.09
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.21
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-(methylaminooxy)propan-1-amine?
The IUPAC name of N,N-dimethyl-3-(methylaminooxy)propan-1-amine (CID 117126805) is N,N-dimethyl-3-(methylaminooxy)propan-1-amine.
What is the SMILES notation for N,N-dimethyl-3-(methylaminooxy)propan-1-amine?
The canonical SMILES for N,N-dimethyl-3-(methylaminooxy)propan-1-amine is CNOCCCN(C)C.
What is the InChIKey of N,N-dimethyl-3-(methylaminooxy)propan-1-amine?
The InChIKey is UWUZOMXFFYMFMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N2O/c1-7-9-6-4-5-8(2)3/h7H,4-6H2,1-3H3.
What are the key properties of N,N-dimethyl-3-(methylaminooxy)propan-1-amine?
N,N-dimethyl-3-(methylaminooxy)propan-1-amine has a molecular weight of 132.21 g/mol, XLogP of 0.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-(methylaminooxy)propan-1-amine is sourced from PubChem (CID 117126805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).