3,3-dimethoxy-N-methylpropan-1-amine

C6H15NO2 — CID 55284576

IUPAC3,3-dimethoxy-N-methylpropan-1-amine
SMILESCNCCC(OC)OC
InChIInChI=1S/C6H15NO2/c1-7-5-4-6(8-2)9-3/h6-7H,4-5H2,1-3H3
InChIKeyFRNBQLDGXCGOTH-UHFFFAOYSA-N
MW133.19 g/mol
LogP0.21
Rot. Bonds5

About 3,3-dimethoxy-N-methylpropan-1-amine

3,3-dimethoxy-N-methylpropan-1-amine (PubChem CID 55284576) has the molecular formula C6H15NO2 and a molecular weight of 133.19 g/mol. Its IUPAC name is 3,3-dimethoxy-N-methylpropan-1-amine.

Molecular Properties

Compound Name3,3-dimethoxy-N-methylpropan-1-amine
PubChem CID55284576
Molecular FormulaC6H15NO2
Molecular Weight133.19 g/mol
Exact Mass133.11
IUPAC Name3,3-dimethoxy-N-methylpropan-1-amine
SMILESCNCCC(OC)OC
InChIInChI=1S/C6H15NO2/c1-7-5-4-6(8-2)9-3/h6-7H,4-5H2,1-3H3
InChIKeyFRNBQLDGXCGOTH-UHFFFAOYSA-N
XLogP0.21
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.19
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethoxy-N-methylpropan-1-amine?
The IUPAC name of 3,3-dimethoxy-N-methylpropan-1-amine (CID 55284576) is 3,3-dimethoxy-N-methylpropan-1-amine.
What is the SMILES notation for 3,3-dimethoxy-N-methylpropan-1-amine?
The canonical SMILES for 3,3-dimethoxy-N-methylpropan-1-amine is CNCCC(OC)OC.
What is the InChIKey of 3,3-dimethoxy-N-methylpropan-1-amine?
The InChIKey is FRNBQLDGXCGOTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO2/c1-7-5-4-6(8-2)9-3/h6-7H,4-5H2,1-3H3.
What are the key properties of 3,3-dimethoxy-N-methylpropan-1-amine?
3,3-dimethoxy-N-methylpropan-1-amine has a molecular weight of 133.19 g/mol, XLogP of 0.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethoxy-N-methylpropan-1-amine is sourced from PubChem (CID 55284576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).