N-[1-[2-(1-benzylpyrrolidin-3-yl)oxy-4-pyridinyl]ethyl]propan-1-amine

C21H29N3O — CID 113254245

IUPACN-[1-[2-(1-benzylpyrrolidin-3-yl)oxy-4-pyridinyl]ethyl]propan-1-amine
SMILESCCCNC(C)c1ccnc(OC2CCN(Cc3ccccc3)C2)c1
InChIInChI=1S/C21H29N3O/c1-3-11-22-17(2)19-9-12-23-21(14-19)25-20-10-13-24(16-20)15-18-7-5-4-6-8-18/h4-9,12,14,17,20,22H,3,10-11,13,15-16H2,1-2H3
InChIKeyXILWPKRSDFUVME-UHFFFAOYSA-N
MW339.48 g/mol
LogP3.80
Rot. Bonds8

About N-[1-[2-(1-benzylpyrrolidin-3-yl)oxy-4-pyridinyl]ethyl]propan-1-amine

N-[1-[2-(1-benzylpyrrolidin-3-yl)oxy-4-pyridinyl]ethyl]propan-1-amine (PubChem CID 113254245) has the molecular formula C21H29N3O and a molecular weight of 339.48 g/mol. Its IUPAC name is N-[1-[2-(1-benzylpyrrolidin-3-yl)oxy-4-pyridinyl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[2-(1-benzylpyrrolidin-3-yl)oxy-4-pyridinyl]ethyl]propan-1-amine
PubChem CID113254245
Molecular FormulaC21H29N3O
Molecular Weight339.48 g/mol
Exact Mass339.23
IUPAC NameN-[1-[2-(1-benzylpyrrolidin-3-yl)oxy-4-pyridinyl]ethyl]propan-1-amine
SMILESCCCNC(C)c1ccnc(OC2CCN(Cc3ccccc3)C2)c1
InChIInChI=1S/C21H29N3O/c1-3-11-22-17(2)19-9-12-23-21(14-19)25-20-10-13-24(16-20)15-18-7-5-4-6-8-18/h4-9,12,14,17,20,22H,3,10-11,13,15-16H2,1-2H3
InChIKeyXILWPKRSDFUVME-UHFFFAOYSA-N
XLogP3.80
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-benzylpyrrolidin-3-yl)oxy-5-bromopyridine
CID 62918212
1-benzyl-3-(2-methylpropoxy)pyrrolidine
CID 67473333
(3R)-1-benzyl-3-methoxypyrrolidine
CID 157327886
2-(1-benzylpyrrolidin-3-yl)oxy-6-fluoropyridine
CID 62916852
2-(1-benzylpyrrolidin-3-yl)oxypyridin-3-amine
CID 62911300
[3-(1-benzylpyrrolidin-3-yl)oxypyrazin-2-yl]methanamine
CID 62911298
4-(1-benzylpyrrolidin-3-yl)oxy-N-ethylbutan-1-amine
CID 62918214
2-(1-benzylpyrrolidin-3-yl)oxy-5-methylpyridin-3-amine
CID 66281326
6-(1-benzylpyrrolidin-3-yl)oxy-7-methylisoquinolin-1-amine
CID 68875331
2-(1-benzylpyrrolidin-3-yl)oxy-N-methylethanamine
CID 62918386
N-[(1R)-1-[(3R)-1-benzylpyrrolidin-3-yl]ethyl]-3-phenylpropan-1-amine
CID 97341089
N-(1-benzylpiperidin-4-yl)-2-(thiolan-3-yloxy)pyridine-4-carboxamide
CID 91815641

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(1-benzylpyrrolidin-3-yl)oxy-4-pyridinyl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[2-(1-benzylpyrrolidin-3-yl)oxy-4-pyridinyl]ethyl]propan-1-amine (CID 113254245) is N-[1-[2-(1-benzylpyrrolidin-3-yl)oxy-4-pyridinyl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[2-(1-benzylpyrrolidin-3-yl)oxy-4-pyridinyl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[2-(1-benzylpyrrolidin-3-yl)oxy-4-pyridinyl]ethyl]propan-1-amine is CCCNC(C)c1ccnc(OC2CCN(Cc3ccccc3)C2)c1.
What is the InChIKey of N-[1-[2-(1-benzylpyrrolidin-3-yl)oxy-4-pyridinyl]ethyl]propan-1-amine?
The InChIKey is XILWPKRSDFUVME-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O/c1-3-11-22-17(2)19-9-12-23-21(14-19)25-20-10-13-24(16-20)15-18-7-5-4-6-8-18/h4-9,12,14,17,20,22H,3,10-11,13,15-16H2,1-2H3.
What are the key properties of N-[1-[2-(1-benzylpyrrolidin-3-yl)oxy-4-pyridinyl]ethyl]propan-1-amine?
N-[1-[2-(1-benzylpyrrolidin-3-yl)oxy-4-pyridinyl]ethyl]propan-1-amine has a molecular weight of 339.48 g/mol, XLogP of 3.80, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(1-benzylpyrrolidin-3-yl)oxy-4-pyridinyl]ethyl]propan-1-amine is sourced from PubChem (CID 113254245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).