3-(2,3-dimethoxypropoxy)-N-methylpropan-1-amine

C9H21NO3 — CID 167567617

IUPAC3-(2,3-dimethoxypropoxy)-N-methylpropan-1-amine
SMILESCNCCCOCC(COC)OC
InChIInChI=1S/C9H21NO3/c1-10-5-4-6-13-8-9(12-3)7-11-2/h9-10H,4-8H2,1-3H3
InChIKeySLZIYMSZVWLGME-UHFFFAOYSA-N
MW191.27 g/mol
LogP0.27
Rot. Bonds9

About 3-(2,3-dimethoxypropoxy)-N-methylpropan-1-amine

3-(2,3-dimethoxypropoxy)-N-methylpropan-1-amine (PubChem CID 167567617) has the molecular formula C9H21NO3 and a molecular weight of 191.27 g/mol. Its IUPAC name is 3-(2,3-dimethoxypropoxy)-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-(2,3-dimethoxypropoxy)-N-methylpropan-1-amine
PubChem CID167567617
Molecular FormulaC9H21NO3
Molecular Weight191.27 g/mol
Exact Mass191.15
IUPAC Name3-(2,3-dimethoxypropoxy)-N-methylpropan-1-amine
SMILESCNCCCOCC(COC)OC
InChIInChI=1S/C9H21NO3/c1-10-5-4-6-13-8-9(12-3)7-11-2/h9-10H,4-8H2,1-3H3
InChIKeySLZIYMSZVWLGME-UHFFFAOYSA-N
XLogP0.27
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[3-(2-Methoxyethoxy)propyl](methyl)amine
CID 58311479
Methyl[3-(propan-2-yloxy)propyl]amine
CID 19842664
N-(3-fluoropropyl)-3-(2-methoxyethoxy)propan-1-amine
CID 105677618
N-(2-fluoroethyl)-3-(2-methoxyethoxy)propan-1-amine
CID 105677648
{3-[(1-Ethoxypropan-2-yl)oxy]-2,2-difluoropropyl}(methyl)amine
CID 165467062
{2,2-Difluoro-3-[(1-methoxypropan-2-yl)oxy]propyl}(ethyl)amine
CID 165717918
{2,2-Difluoro-3-[2-(propan-2-yloxy)ethoxy]propyl}(methyl)amine
CID 165837129
{2,2-Difluoro-3-[(1-methoxypropan-2-yl)oxy]propyl}(methyl)amine
CID 165874634
N-(1,4,7,10,13-pentaoxacyclopentadec-2-ylmethyl)ethanamine
CID 12820576
N-methyl-3-[2-[2-[2-[3-(methylamino)propoxy]ethoxy]ethoxy]ethoxy]propan-1-amine
CID 12943190
3-[2-[3-(Dimethylamino)propoxy]ethoxy]propan-1-amine
CID 15020098
N-methyl-N-(3-{2[-2-(3-methylamino-propoxy)-ethoxy]-ethoxy}-propyl)-amine
CID 18519329

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dimethoxypropoxy)-N-methylpropan-1-amine?
The IUPAC name of 3-(2,3-dimethoxypropoxy)-N-methylpropan-1-amine (CID 167567617) is 3-(2,3-dimethoxypropoxy)-N-methylpropan-1-amine.
What is the SMILES notation for 3-(2,3-dimethoxypropoxy)-N-methylpropan-1-amine?
The canonical SMILES for 3-(2,3-dimethoxypropoxy)-N-methylpropan-1-amine is CNCCCOCC(COC)OC.
What is the InChIKey of 3-(2,3-dimethoxypropoxy)-N-methylpropan-1-amine?
The InChIKey is SLZIYMSZVWLGME-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO3/c1-10-5-4-6-13-8-9(12-3)7-11-2/h9-10H,4-8H2,1-3H3.
What are the key properties of 3-(2,3-dimethoxypropoxy)-N-methylpropan-1-amine?
3-(2,3-dimethoxypropoxy)-N-methylpropan-1-amine has a molecular weight of 191.27 g/mol, XLogP of 0.27, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dimethoxypropoxy)-N-methylpropan-1-amine is sourced from PubChem (CID 167567617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).