N-(3-methoxypropyl)-2-(3-morpholin-4-ylpyrrolidin-1-yl)propan-1-amine

C15H31N3O2 — CID 63167885

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

About N-(3-methoxypropyl)-2-(3-morpholin-4-ylpyrrolidin-1-yl)propan-1-amine

N-(3-methoxypropyl)-2-(3-morpholin-4-ylpyrrolidin-1-yl)propan-1-amine (PubChem CID 63167885) has the molecular formula C15H31N3O2 and a molecular weight of 285.43 g/mol. Its IUPAC name is N-(3-methoxypropyl)-2-(3-morpholin-4-ylpyrrolidin-1-yl)propan-1-amine.

Molecular Properties

Compound NameN-(3-methoxypropyl)-2-(3-morpholin-4-ylpyrrolidin-1-yl)propan-1-amine
PubChem CID63167885
Molecular FormulaC15H31N3O2
Molecular Weight285.43 g/mol
Exact Mass285.24
IUPAC NameN-(3-methoxypropyl)-2-(3-morpholin-4-ylpyrrolidin-1-yl)propan-1-amine
SMILESCOCCCNCC(C)N1CCC(N2CCOCC2)C1
InChIInChI=1S/C15H31N3O2/c1-14(12-16-5-3-9-19-2)18-6-4-15(13-18)17-7-10-20-11-8-17/h14-16H,3-13H2,1-2H3
InChIKeyDBSXIEKUMQNFHL-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

2-(3-morpholin-4-ylpyrrolidin-1-yl)-N-propylpropan-1-amine
CID 63167437
3-methoxy-2-(3-morpholin-4-ylpyrrolidin-1-yl)-N-propylpropan-1-amine
CID 103226527
4-(3-morpholin-4-ylpyrrolidin-1-yl)-N-propan-2-ylpentan-1-amine
CID 63167863
N-[2-(3-morpholin-4-ylpyrrolidin-1-yl)propyl]cyclopentanamine
CID 63167933
methyl 3-(3-morpholin-4-ylpyrrolidin-1-yl)butanoate
CID 55159943
N-(3-methoxypropyl)-2-(4-methylsulfanylpiperidin-1-yl)propan-1-amine
CID 114238400
N-(3-methoxypropyl)-2-pyrrolidin-1-ylpropan-1-amine
CID 62556427
N-(3-methoxypropyl)-3-morpholin-4-ylpyrrolidine-1-carbothioamide
CID 115648781
N-(3-methoxypropyl)-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-1-amine
CID 63007462
N-ethyl-3-methyl-2-(3-morpholin-4-ylpyrrolidin-1-yl)butan-1-amine
CID 63167734
N-(3-methoxypropyl)-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide
CID 111726310
1-[1-(2-methoxyethylamino)propan-2-yl]-N,N-dimethylpyrrolidin-3-amine
CID 63167781

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-2-(3-morpholin-4-ylpyrrolidin-1-yl)propan-1-amine?
The IUPAC name of N-(3-methoxypropyl)-2-(3-morpholin-4-ylpyrrolidin-1-yl)propan-1-amine (CID 63167885) is N-(3-methoxypropyl)-2-(3-morpholin-4-ylpyrrolidin-1-yl)propan-1-amine.
What is the SMILES notation for N-(3-methoxypropyl)-2-(3-morpholin-4-ylpyrrolidin-1-yl)propan-1-amine?
The canonical SMILES for N-(3-methoxypropyl)-2-(3-morpholin-4-ylpyrrolidin-1-yl)propan-1-amine is COCCCNCC(C)N1CCC(N2CCOCC2)C1.
What is the InChIKey of N-(3-methoxypropyl)-2-(3-morpholin-4-ylpyrrolidin-1-yl)propan-1-amine?
The InChIKey is DBSXIEKUMQNFHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O2/c1-14(12-16-5-3-9-19-2)18-6-4-15(13-18)17-7-10-20-11-8-17/h14-16H,3-13H2,1-2H3.
What are the key properties of N-(3-methoxypropyl)-2-(3-morpholin-4-ylpyrrolidin-1-yl)propan-1-amine?
N-(3-methoxypropyl)-2-(3-morpholin-4-ylpyrrolidin-1-yl)propan-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 N-(3-methoxypropyl)-2-(3-morpholin-4-ylpyrrolidin-1-yl)propan-1-amine is sourced from PubChem (CID 63167885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).