2,3-dimethoxy-N-propan-2-ylpropan-1-amine

C8H19NO2 — CID 59236970

IUPAC2,3-dimethoxy-N-propan-2-ylpropan-1-amine
SMILESCOCC(CNC(C)C)OC
InChIInChI=1S/C8H19NO2/c1-7(2)9-5-8(11-4)6-10-3/h7-9H,5-6H2,1-4H3
InChIKeyBAXOLPHQRTVWTC-UHFFFAOYSA-N
MW161.25 g/mol
LogP0.65
Rot. Bonds6

About 2,3-dimethoxy-N-propan-2-ylpropan-1-amine

2,3-dimethoxy-N-propan-2-ylpropan-1-amine (PubChem CID 59236970) has the molecular formula C8H19NO2 and a molecular weight of 161.25 g/mol. Its IUPAC name is 2,3-dimethoxy-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name2,3-dimethoxy-N-propan-2-ylpropan-1-amine
PubChem CID59236970
Molecular FormulaC8H19NO2
Molecular Weight161.25 g/mol
Exact Mass161.14
IUPAC Name2,3-dimethoxy-N-propan-2-ylpropan-1-amine
SMILESCOCC(CNC(C)C)OC
InChIInChI=1S/C8H19NO2/c1-7(2)9-5-8(11-4)6-10-3/h7-9H,5-6H2,1-4H3
InChIKeyBAXOLPHQRTVWTC-UHFFFAOYSA-N
XLogP0.65
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.25
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethoxy-N-propan-2-ylpropan-1-amine?
The IUPAC name of 2,3-dimethoxy-N-propan-2-ylpropan-1-amine (CID 59236970) is 2,3-dimethoxy-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 2,3-dimethoxy-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 2,3-dimethoxy-N-propan-2-ylpropan-1-amine is COCC(CNC(C)C)OC.
What is the InChIKey of 2,3-dimethoxy-N-propan-2-ylpropan-1-amine?
The InChIKey is BAXOLPHQRTVWTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO2/c1-7(2)9-5-8(11-4)6-10-3/h7-9H,5-6H2,1-4H3.
What are the key properties of 2,3-dimethoxy-N-propan-2-ylpropan-1-amine?
2,3-dimethoxy-N-propan-2-ylpropan-1-amine has a molecular weight of 161.25 g/mol, XLogP of 0.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethoxy-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 59236970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).