amino-(1-methoxy-1-oxopropan-2-yl)-dimethylazanium

C6H15N2O2+ — CID 20676008

IUPACamino-(1-methoxy-1-oxopropan-2-yl)-dimethylazanium
SMILESCOC(=O)C(C)[N+](C)(C)N
InChIInChI=1S/C6H15N2O2/c1-5(6(9)10-4)8(2,3)7/h5H,7H2,1-4H3/q+1
InChIKeyARAZTSGEGPSFCQ-UHFFFAOYSA-N
MW147.20 g/mol
LogP-0.50
Rot. Bonds2

About amino-(1-methoxy-1-oxopropan-2-yl)-dimethylazanium

amino-(1-methoxy-1-oxopropan-2-yl)-dimethylazanium (PubChem CID 20676008) has the molecular formula C6H15N2O2+ and a molecular weight of 147.20 g/mol. Its IUPAC name is amino-(1-methoxy-1-oxopropan-2-yl)-dimethylazanium.

Molecular Properties

Compound Nameamino-(1-methoxy-1-oxopropan-2-yl)-dimethylazanium
PubChem CID20676008
Molecular FormulaC6H15N2O2+
Molecular Weight147.20 g/mol
Exact Mass147.11
IUPAC Nameamino-(1-methoxy-1-oxopropan-2-yl)-dimethylazanium
SMILESCOC(=O)C(C)[N+](C)(C)N
InChIInChI=1S/C6H15N2O2/c1-5(6(9)10-4)8(2,3)7/h5H,7H2,1-4H3/q+1
InChIKeyARAZTSGEGPSFCQ-UHFFFAOYSA-N
XLogP-0.50
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.20
LogP ≤ 5-0.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of amino-(1-methoxy-1-oxopropan-2-yl)-dimethylazanium?
The IUPAC name of amino-(1-methoxy-1-oxopropan-2-yl)-dimethylazanium (CID 20676008) is amino-(1-methoxy-1-oxopropan-2-yl)-dimethylazanium.
What is the SMILES notation for amino-(1-methoxy-1-oxopropan-2-yl)-dimethylazanium?
The canonical SMILES for amino-(1-methoxy-1-oxopropan-2-yl)-dimethylazanium is COC(=O)C(C)[N+](C)(C)N.
What is the InChIKey of amino-(1-methoxy-1-oxopropan-2-yl)-dimethylazanium?
The InChIKey is ARAZTSGEGPSFCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N2O2/c1-5(6(9)10-4)8(2,3)7/h5H,7H2,1-4H3/q+1.
What are the key properties of amino-(1-methoxy-1-oxopropan-2-yl)-dimethylazanium?
amino-(1-methoxy-1-oxopropan-2-yl)-dimethylazanium has a molecular weight of 147.20 g/mol, XLogP of -0.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for amino-(1-methoxy-1-oxopropan-2-yl)-dimethylazanium is sourced from PubChem (CID 20676008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).