3-methoxy-2-(oxan-4-ylmethoxy)-N-propylpropan-1-amine

C13H27NO3 — CID 103228633

IUPAC3-methoxy-2-(oxan-4-ylmethoxy)-N-propylpropan-1-amine
SMILESCCCNCC(COC)OCC1CCOCC1
InChIInChI=1S/C13H27NO3/c1-3-6-14-9-13(11-15-2)17-10-12-4-7-16-8-5-12/h12-14H,3-11H2,1-2H3
InChIKeyHAIMDBLQPSDPJU-UHFFFAOYSA-N
MW245.36 g/mol
LogP1.44
Rot. Bonds9

About 3-methoxy-2-(oxan-4-ylmethoxy)-N-propylpropan-1-amine

3-methoxy-2-(oxan-4-ylmethoxy)-N-propylpropan-1-amine (PubChem CID 103228633) has the molecular formula C13H27NO3 and a molecular weight of 245.36 g/mol. Its IUPAC name is 3-methoxy-2-(oxan-4-ylmethoxy)-N-propylpropan-1-amine.

Molecular Properties

Compound Name3-methoxy-2-(oxan-4-ylmethoxy)-N-propylpropan-1-amine
PubChem CID103228633
Molecular FormulaC13H27NO3
Molecular Weight245.36 g/mol
Exact Mass245.20
IUPAC Name3-methoxy-2-(oxan-4-ylmethoxy)-N-propylpropan-1-amine
SMILESCCCNCC(COC)OCC1CCOCC1
InChIInChI=1S/C13H27NO3/c1-3-6-14-9-13(11-15-2)17-10-12-4-7-16-8-5-12/h12-14H,3-11H2,1-2H3
InChIKeyHAIMDBLQPSDPJU-UHFFFAOYSA-N
XLogP1.44
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.36
LogP ≤ 51.44
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

2-(oxan-4-ylmethoxy)-N-propylpropan-1-amine
CID 62484584
1-(oxan-4-ylmethoxy)-3-(propylamino)propan-2-ol
CID 62382435
N-(2-methylpropyl)-2-(oxan-4-ylmethoxy)butan-1-amine
CID 62486898
N-[3-methoxy-2-(oxolan-3-ylmethoxy)propyl]cyclopropanamine
CID 103228592
3-methyl-2-(oxolan-3-ylmethoxy)-N-propylbutan-1-amine
CID 62485593
2-hexoxy-3-methoxy-N-propylpropan-1-amine
CID 103227913
2-(cyclopentylmethoxy)-3-methoxy-N-methylpropan-1-amine
CID 103228841
2-[(E)-but-2-enoxy]-3-methoxy-N-propylpropan-1-amine
CID 103227663
1-methoxy-3-(oxan-4-ylmethylamino)propan-2-ol
CID 63930500
3-methoxy-2-(3-morpholin-4-ylpyrrolidin-1-yl)-N-propylpropan-1-amine
CID 103226527
4-(oxan-4-ylmethoxy)-3-(propylamino)butan-1-ol
CID 64900179
2-(oxan-2-ylmethoxy)-N-propylbutan-1-amine
CID 62443742

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-(oxan-4-ylmethoxy)-N-propylpropan-1-amine?
The IUPAC name of 3-methoxy-2-(oxan-4-ylmethoxy)-N-propylpropan-1-amine (CID 103228633) is 3-methoxy-2-(oxan-4-ylmethoxy)-N-propylpropan-1-amine.
What is the SMILES notation for 3-methoxy-2-(oxan-4-ylmethoxy)-N-propylpropan-1-amine?
The canonical SMILES for 3-methoxy-2-(oxan-4-ylmethoxy)-N-propylpropan-1-amine is CCCNCC(COC)OCC1CCOCC1.
What is the InChIKey of 3-methoxy-2-(oxan-4-ylmethoxy)-N-propylpropan-1-amine?
The InChIKey is HAIMDBLQPSDPJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO3/c1-3-6-14-9-13(11-15-2)17-10-12-4-7-16-8-5-12/h12-14H,3-11H2,1-2H3.
What are the key properties of 3-methoxy-2-(oxan-4-ylmethoxy)-N-propylpropan-1-amine?
3-methoxy-2-(oxan-4-ylmethoxy)-N-propylpropan-1-amine has a molecular weight of 245.36 g/mol, XLogP of 1.44, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-(oxan-4-ylmethoxy)-N-propylpropan-1-amine is sourced from PubChem (CID 103228633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).