2,2-dimethyl-3-(methylaminooxy)propan-1-amine

C6H16N2O — CID 155039143

IUPAC2,2-dimethyl-3-(methylaminooxy)propan-1-amine
SMILESCNOCC(C)(C)CN
InChIInChI=1S/C6H16N2O/c1-6(2,4-7)5-9-8-3/h8H,4-5,7H2,1-3H3
InChIKeyPZGFJMGJGYPNQU-UHFFFAOYSA-N
MW132.21 g/mol
LogP0.12
Rot. Bonds4

About 2,2-dimethyl-3-(methylaminooxy)propan-1-amine

2,2-dimethyl-3-(methylaminooxy)propan-1-amine (PubChem CID 155039143) has the molecular formula C6H16N2O and a molecular weight of 132.21 g/mol. Its IUPAC name is 2,2-dimethyl-3-(methylaminooxy)propan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-3-(methylaminooxy)propan-1-amine
PubChem CID155039143
Molecular FormulaC6H16N2O
Molecular Weight132.21 g/mol
Exact Mass132.13
IUPAC Name2,2-dimethyl-3-(methylaminooxy)propan-1-amine
SMILESCNOCC(C)(C)CN
InChIInChI=1S/C6H16N2O/c1-6(2,4-7)5-9-8-3/h8H,4-5,7H2,1-3H3
InChIKeyPZGFJMGJGYPNQU-UHFFFAOYSA-N
XLogP0.12
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 ≤ 50.12
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

3-(3-methoxy-2,2-dimethylpropoxy)-2,2-dimethylpropan-1-amine
CID 88929360
2,2-dimethylpropane-1,3-diamine
CID 162099967
2,2-dimethyl-3-(4-methylpentoxy)propan-1-amine
CID 79627176
3-[3-(2-methoxyethoxy)propoxy]-2,2-dimethylpropan-1-amine
CID 103406340
3-hydrazinyl-2,2-dimethylpropan-1-amine
CID 163833344
(3-amino-2,2-dimethylpropyl) 2-methylpropanoate
CID 20523360
4-amino-N'-(3-amino-2,2-dimethylpropoxy)-4-methylheptanehydrazide
CID 144767383
5-[2-[(3-amino-2,2-dimethylpropoxy)methyl]-3-(4-amino-2,2,4-trimethylpentoxy)-2-[(4-amino-2,2,4-trimethylpentoxy)methyl]propoxy]-2,4,4-trimethylpentan-2-amine
CID 155267878
3-(3-methoxy-3-methylbutoxy)-2,2-dimethylpropan-1-amine
CID 106668062
N-[3-(3-amino-2,2-dimethylpropoxy)-2,2-dimethylpropyl]-4-methoxy-3,3-dimethylbutanamide
CID 170012588
(2R)-3-methoxy-2-methylpropane-1,2-diamine
CID 94474940
4-methoxy-2,2,4-trimethylpentan-1-amine
CID 131229444

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(methylaminooxy)propan-1-amine?
The IUPAC name of 2,2-dimethyl-3-(methylaminooxy)propan-1-amine (CID 155039143) is 2,2-dimethyl-3-(methylaminooxy)propan-1-amine.
What is the SMILES notation for 2,2-dimethyl-3-(methylaminooxy)propan-1-amine?
The canonical SMILES for 2,2-dimethyl-3-(methylaminooxy)propan-1-amine is CNOCC(C)(C)CN.
What is the InChIKey of 2,2-dimethyl-3-(methylaminooxy)propan-1-amine?
The InChIKey is PZGFJMGJGYPNQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N2O/c1-6(2,4-7)5-9-8-3/h8H,4-5,7H2,1-3H3.
What are the key properties of 2,2-dimethyl-3-(methylaminooxy)propan-1-amine?
2,2-dimethyl-3-(methylaminooxy)propan-1-amine has a molecular weight of 132.21 g/mol, XLogP of 0.12, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(methylaminooxy)propan-1-amine is sourced from PubChem (CID 155039143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).