2-methyl-3-(methylaminooxy)propan-1-amine

C5H14N2O — CID 20681277

IUPAC2-methyl-3-(methylaminooxy)propan-1-amine
SMILESCNOCC(C)CN
InChIInChI=1S/C5H14N2O/c1-5(3-6)4-8-7-2/h5,7H,3-4,6H2,1-2H3
InChIKeyLBBZFIHGNCMNAJ-UHFFFAOYSA-N
MW118.18 g/mol
LogP-0.27
Rot. Bonds4

About 2-methyl-3-(methylaminooxy)propan-1-amine

2-methyl-3-(methylaminooxy)propan-1-amine (PubChem CID 20681277) has the molecular formula C5H14N2O and a molecular weight of 118.18 g/mol. Its IUPAC name is 2-methyl-3-(methylaminooxy)propan-1-amine.

Molecular Properties

Compound Name2-methyl-3-(methylaminooxy)propan-1-amine
PubChem CID20681277
Molecular FormulaC5H14N2O
Molecular Weight118.18 g/mol
Exact Mass118.11
IUPAC Name2-methyl-3-(methylaminooxy)propan-1-amine
SMILESCNOCC(C)CN
InChIInChI=1S/C5H14N2O/c1-5(3-6)4-8-7-2/h5,7H,3-4,6H2,1-2H3
InChIKeyLBBZFIHGNCMNAJ-UHFFFAOYSA-N
XLogP-0.27
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.18
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2,6-dimethylheptan-1-amine
CID 13329794
(2R)-3-methoxy-2-methylpropan-1-amine;(2R)-3-methoxy-2-methyl-N-propan-2-ylpropan-1-amine
CID 161351660
3-ethoxy-2-methylpropan-1-amine
CID 43175050
N'-(2-aminopropyl)-2-methylpropane-1,3-diamine
CID 168896832
6-methoxy-2-methylhexan-1-amine
CID 64666005
3-cyclopentyloxy-2-methylpropan-1-amine
CID 43367941
N'-(2,2-difluoroethyl)-2-methylpropane-1,3-diamine
CID 115407517
1-[(3-amino-2-methylpropyl)amino]propan-2-ol
CID 130604418
N',2-dimethylpentane-1,5-diamine;methanol;propane
CID 143231168
(2S)-2-methylbutane-1,4-diamine
CID 51382069
ethane;(2S)-2-methylbutan-1-amine
CID 168995641
2-methyl-3-silylpropan-1-amine
CID 174099993

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(methylaminooxy)propan-1-amine?
The IUPAC name of 2-methyl-3-(methylaminooxy)propan-1-amine (CID 20681277) is 2-methyl-3-(methylaminooxy)propan-1-amine.
What is the SMILES notation for 2-methyl-3-(methylaminooxy)propan-1-amine?
The canonical SMILES for 2-methyl-3-(methylaminooxy)propan-1-amine is CNOCC(C)CN.
What is the InChIKey of 2-methyl-3-(methylaminooxy)propan-1-amine?
The InChIKey is LBBZFIHGNCMNAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14N2O/c1-5(3-6)4-8-7-2/h5,7H,3-4,6H2,1-2H3.
What are the key properties of 2-methyl-3-(methylaminooxy)propan-1-amine?
2-methyl-3-(methylaminooxy)propan-1-amine has a molecular weight of 118.18 g/mol, XLogP of -0.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(methylaminooxy)propan-1-amine is sourced from PubChem (CID 20681277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).