3-methoxy-2-(3-morpholin-4-ylpyrrolidin-1-yl)-N-propylpropan-1-amine

C15H31N3O2 — CID 103226527

IUPAC3-methoxy-2-(3-morpholin-4-ylpyrrolidin-1-yl)-N-propylpropan-1-amine
SMILESCCCNCC(COC)N1CCC(N2CCOCC2)C1
InChIInChI=1S/C15H31N3O2/c1-3-5-16-11-15(13-19-2)18-6-4-14(12-18)17-7-9-20-10-8-17/h14-16H,3-13H2,1-2H3
InChIKeyBIYZCHVGHBJYHN-UHFFFAOYSA-N
MW285.43 g/mol
LogP0.41
Rot. Bonds8

About 3-methoxy-2-(3-morpholin-4-ylpyrrolidin-1-yl)-N-propylpropan-1-amine

3-methoxy-2-(3-morpholin-4-ylpyrrolidin-1-yl)-N-propylpropan-1-amine (PubChem CID 103226527) has the molecular formula C15H31N3O2 and a molecular weight of 285.43 g/mol. Its IUPAC name is 3-methoxy-2-(3-morpholin-4-ylpyrrolidin-1-yl)-N-propylpropan-1-amine.

Molecular Properties

Compound Name3-methoxy-2-(3-morpholin-4-ylpyrrolidin-1-yl)-N-propylpropan-1-amine
PubChem CID103226527
Molecular FormulaC15H31N3O2
Molecular Weight285.43 g/mol
Exact Mass285.24
IUPAC Name3-methoxy-2-(3-morpholin-4-ylpyrrolidin-1-yl)-N-propylpropan-1-amine
SMILESCCCNCC(COC)N1CCC(N2CCOCC2)C1
InChIInChI=1S/C15H31N3O2/c1-3-5-16-11-15(13-19-2)18-6-4-14(12-18)17-7-9-20-10-8-17/h14-16H,3-13H2,1-2H3
InChIKeyBIYZCHVGHBJYHN-UHFFFAOYSA-N
XLogP0.41
TPSA36.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(Pyrrolidin-2-ylmethyl)morpholine
CID 4715221
4-(Pyrrolidin-3-yl)morpholine
CID 14627373
N,N-Dimethyl-3-morpholinemethanamine
CID 18915134
1-(Oxolan-3-yl)piperazine--hydrogen chloride (1/1)
CID 53249945
1-(Oxolan-3-yl)piperazine
CID 53249946
4-(Pyrrolidin-3-yl)morpholine dihydrochloride
CID 53409900
Methyl[1-(morpholin-4-yl)propan-2-yl]amine
CID 61501008
4-(Pyrrolidin-3-yl)-1,4-oxazepane
CID 62989035
rac-(4aR,7aS)-4-methyl-octahydropyrrolo(3,4-b)morpholine
CID 68019343
rac-(4aR,7aS)-6-methyl-octahydropyrrolo[3,4-b][1,4]oxazine
CID 68271608
Morpholine, 4-(4-methyl-3-pyrrolidinyl)-
CID 73994640
rac-(3R,4R)-4-(morpholin-4-yl)oxolan-3-amine
CID 86338125

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-(3-morpholin-4-ylpyrrolidin-1-yl)-N-propylpropan-1-amine?
The IUPAC name of 3-methoxy-2-(3-morpholin-4-ylpyrrolidin-1-yl)-N-propylpropan-1-amine (CID 103226527) is 3-methoxy-2-(3-morpholin-4-ylpyrrolidin-1-yl)-N-propylpropan-1-amine.
What is the SMILES notation for 3-methoxy-2-(3-morpholin-4-ylpyrrolidin-1-yl)-N-propylpropan-1-amine?
The canonical SMILES for 3-methoxy-2-(3-morpholin-4-ylpyrrolidin-1-yl)-N-propylpropan-1-amine is CCCNCC(COC)N1CCC(N2CCOCC2)C1.
What is the InChIKey of 3-methoxy-2-(3-morpholin-4-ylpyrrolidin-1-yl)-N-propylpropan-1-amine?
The InChIKey is BIYZCHVGHBJYHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O2/c1-3-5-16-11-15(13-19-2)18-6-4-14(12-18)17-7-9-20-10-8-17/h14-16H,3-13H2,1-2H3.
What are the key properties of 3-methoxy-2-(3-morpholin-4-ylpyrrolidin-1-yl)-N-propylpropan-1-amine?
3-methoxy-2-(3-morpholin-4-ylpyrrolidin-1-yl)-N-propylpropan-1-amine has a molecular weight of 285.43 g/mol, XLogP of 0.41, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-(3-morpholin-4-ylpyrrolidin-1-yl)-N-propylpropan-1-amine is sourced from PubChem (CID 103226527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).