[1-methoxy-3-(methylazaniumyl)-1-oxopropan-2-yl]-methylazanium

C6H16N2O2+2 — CID 59032042

IUPAC[1-methoxy-3-(methylazaniumyl)-1-oxopropan-2-yl]-methylazanium
SMILESC[NH2+]CC([NH2+]C)C(=O)OC
InChIInChI=1S/C6H14N2O2/c1-7-4-5(8-2)6(9)10-3/h5,7-8H,4H2,1-3H3/p+2
InChIKeyMBOCNZYIABFMSC-UHFFFAOYSA-P
MW148.21 g/mol
LogP-3.09
Rot. Bonds4

About [1-methoxy-3-(methylazaniumyl)-1-oxopropan-2-yl]-methylazanium

[1-methoxy-3-(methylazaniumyl)-1-oxopropan-2-yl]-methylazanium (PubChem CID 59032042) has the molecular formula C6H16N2O2+2 and a molecular weight of 148.21 g/mol. Its IUPAC name is [1-methoxy-3-(methylazaniumyl)-1-oxopropan-2-yl]-methylazanium.

Molecular Properties

Compound Name[1-methoxy-3-(methylazaniumyl)-1-oxopropan-2-yl]-methylazanium
PubChem CID59032042
Molecular FormulaC6H16N2O2+2
Molecular Weight148.21 g/mol
Exact Mass148.12
IUPAC Name[1-methoxy-3-(methylazaniumyl)-1-oxopropan-2-yl]-methylazanium
SMILESC[NH2+]CC([NH2+]C)C(=O)OC
InChIInChI=1S/C6H14N2O2/c1-7-4-5(8-2)6(9)10-3/h5,7-8H,4H2,1-3H3/p+2
InChIKeyMBOCNZYIABFMSC-UHFFFAOYSA-P
XLogP-3.09
TPSA59.52 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 5-3.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-methoxy-3-(methylazaniumyl)-1-oxopropan-2-yl]-methylazanium?
The IUPAC name of [1-methoxy-3-(methylazaniumyl)-1-oxopropan-2-yl]-methylazanium (CID 59032042) is [1-methoxy-3-(methylazaniumyl)-1-oxopropan-2-yl]-methylazanium.
What is the SMILES notation for [1-methoxy-3-(methylazaniumyl)-1-oxopropan-2-yl]-methylazanium?
The canonical SMILES for [1-methoxy-3-(methylazaniumyl)-1-oxopropan-2-yl]-methylazanium is C[NH2+]CC([NH2+]C)C(=O)OC.
What is the InChIKey of [1-methoxy-3-(methylazaniumyl)-1-oxopropan-2-yl]-methylazanium?
The InChIKey is MBOCNZYIABFMSC-UHFFFAOYSA-P. The full InChI is InChI=1S/C6H14N2O2/c1-7-4-5(8-2)6(9)10-3/h5,7-8H,4H2,1-3H3/p+2.
What are the key properties of [1-methoxy-3-(methylazaniumyl)-1-oxopropan-2-yl]-methylazanium?
[1-methoxy-3-(methylazaniumyl)-1-oxopropan-2-yl]-methylazanium has a molecular weight of 148.21 g/mol, XLogP of -3.09, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-methoxy-3-(methylazaniumyl)-1-oxopropan-2-yl]-methylazanium is sourced from PubChem (CID 59032042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).