1,3-dimethoxy-N-methylpropan-2-amine;ethane

C8H21NO2 — CID 171819113

IUPAC1,3-dimethoxy-N-methylpropan-2-amine;ethane
SMILESCC.CNC(COC)COC
InChIInChI=1S/C6H15NO2.C2H6/c1-7-6(4-8-2)5-9-3;1-2/h6-7H,4-5H2,1-3H3;1-2H3
InChIKeyMPFZBIJXTQIXMV-UHFFFAOYSA-N
MW163.26 g/mol
LogP0.89
Rot. Bonds5

About 1,3-dimethoxy-N-methylpropan-2-amine;ethane

1,3-dimethoxy-N-methylpropan-2-amine;ethane (PubChem CID 171819113) has the molecular formula C8H21NO2 and a molecular weight of 163.26 g/mol. Its IUPAC name is 1,3-dimethoxy-N-methylpropan-2-amine;ethane.

Molecular Properties

Compound Name1,3-dimethoxy-N-methylpropan-2-amine;ethane
PubChem CID171819113
Molecular FormulaC8H21NO2
Molecular Weight163.26 g/mol
Exact Mass163.16
IUPAC Name1,3-dimethoxy-N-methylpropan-2-amine;ethane
SMILESCC.CNC(COC)COC
InChIInChI=1S/C6H15NO2.C2H6/c1-7-6(4-8-2)5-9-3;1-2/h6-7H,4-5H2,1-3H3;1-2H3
InChIKeyMPFZBIJXTQIXMV-UHFFFAOYSA-N
XLogP0.89
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,3-bis(2-methoxyethoxy)-N-methylpropan-2-amine
CID 176738271
1-methoxy-N,4-dimethylpentan-2-amine
CID 13140129
1-methoxy-N-methyl-3-(2-propoxyethoxy)propan-2-amine
CID 107506859
1-methoxy-N-methyl-3-(2-methylbutan-2-yloxy)propan-2-amine
CID 107506722
1-methoxy-N,7-dimethyloctan-2-amine
CID 83158137
(2S)-1-methoxy-N-methylhexan-2-amine
CID 177242292
1-hexoxy-3-methoxy-N-methylpropan-2-amine
CID 107506726
1-cyclopentyloxy-3-methoxy-N-methylpropan-2-amine
CID 107506488
1-methoxy-N,4,5,5-tetramethylhexan-2-amine
CID 105008981
1,4-dimethoxy-2-N,3-N-dimethylbutane-2,3-diamine
CID 163765545
4-imino-1-methoxy-N-methylbutan-2-amine
CID 88905400
1-(4-chlorophenoxy)-3-methoxy-N-methylpropan-2-amine
CID 105165684

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethoxy-N-methylpropan-2-amine;ethane?
The IUPAC name of 1,3-dimethoxy-N-methylpropan-2-amine;ethane (CID 171819113) is 1,3-dimethoxy-N-methylpropan-2-amine;ethane.
What is the SMILES notation for 1,3-dimethoxy-N-methylpropan-2-amine;ethane?
The canonical SMILES for 1,3-dimethoxy-N-methylpropan-2-amine;ethane is CC.CNC(COC)COC.
What is the InChIKey of 1,3-dimethoxy-N-methylpropan-2-amine;ethane?
The InChIKey is MPFZBIJXTQIXMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO2.C2H6/c1-7-6(4-8-2)5-9-3;1-2/h6-7H,4-5H2,1-3H3;1-2H3.
What are the key properties of 1,3-dimethoxy-N-methylpropan-2-amine;ethane?
1,3-dimethoxy-N-methylpropan-2-amine;ethane has a molecular weight of 163.26 g/mol, XLogP of 0.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethoxy-N-methylpropan-2-amine;ethane is sourced from PubChem (CID 171819113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).