3-[1-(6-methoxy-2-pyridinyl)pyrrolidin-2-yl]propan-1-amine

C13H21N3O — CID 55241037

IUPAC3-[1-(6-methoxy-2-pyridinyl)pyrrolidin-2-yl]propan-1-amine
SMILESCOc1cccc(N2CCCC2CCCN)n1
InChIInChI=1S/C13H21N3O/c1-17-13-8-2-7-12(15-13)16-10-4-6-11(16)5-3-9-14/h2,7-8,11H,3-6,9-10,14H2,1H3
InChIKeyPSQRFLGCKFSDCH-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.80
Rot. Bonds5

About 3-[1-(6-methoxy-2-pyridinyl)pyrrolidin-2-yl]propan-1-amine

3-[1-(6-methoxy-2-pyridinyl)pyrrolidin-2-yl]propan-1-amine (PubChem CID 55241037) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 3-[1-(6-methoxy-2-pyridinyl)pyrrolidin-2-yl]propan-1-amine.

Molecular Properties

Compound Name3-[1-(6-methoxy-2-pyridinyl)pyrrolidin-2-yl]propan-1-amine
PubChem CID55241037
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name3-[1-(6-methoxy-2-pyridinyl)pyrrolidin-2-yl]propan-1-amine
SMILESCOc1cccc(N2CCCC2CCCN)n1
InChIInChI=1S/C13H21N3O/c1-17-13-8-2-7-12(15-13)16-10-4-6-11(16)5-3-9-14/h2,7-8,11H,3-6,9-10,14H2,1H3
InChIKeyPSQRFLGCKFSDCH-UHFFFAOYSA-N
XLogP1.80
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-(4-methoxypyrimidin-2-yl)pyrrolidin-2-yl]propan-1-amine
CID 55243745
[1-(6-methoxy-2-pyridinyl)piperidin-2-yl]methanol
CID 63590971
2-[1-(6-ethoxy-2-pyridinyl)piperidin-2-yl]ethanamine
CID 63767579
3-[1-(6-ethoxypyrimidin-4-yl)pyrrolidin-2-yl]propan-1-amine
CID 66332370
N-[[1-(6-methoxy-2-pyridinyl)pyrrolidin-2-yl]methyl]propan-1-amine
CID 63586483
methyl 2-[1-(6-methoxy-2-pyridinyl)piperidin-2-yl]acetate
CID 63587218
2-[1-(4-methoxypyrimidin-2-yl)piperidin-2-yl]ethanamine
CID 63767242
3-[1-(5-methylpyrimidin-2-yl)pyrrolidin-2-yl]propan-1-amine
CID 63761067
[1-(4-methoxypyrimidin-2-yl)pyrrolidin-2-yl]methanamine
CID 62593689
3-(1-pyridin-4-ylpyrrolidin-2-yl)propan-1-amine
CID 63758931
[1-(6-bromo-2-pyridinyl)pyrrolidin-2-yl]methanamine
CID 71644668
2-[[2-(3-bromopropyl)pyrrolidin-1-yl]methyl]-6-methoxypyridine
CID 80690069

Frequently Asked Questions

What is the IUPAC name of 3-[1-(6-methoxy-2-pyridinyl)pyrrolidin-2-yl]propan-1-amine?
The IUPAC name of 3-[1-(6-methoxy-2-pyridinyl)pyrrolidin-2-yl]propan-1-amine (CID 55241037) is 3-[1-(6-methoxy-2-pyridinyl)pyrrolidin-2-yl]propan-1-amine.
What is the SMILES notation for 3-[1-(6-methoxy-2-pyridinyl)pyrrolidin-2-yl]propan-1-amine?
The canonical SMILES for 3-[1-(6-methoxy-2-pyridinyl)pyrrolidin-2-yl]propan-1-amine is COc1cccc(N2CCCC2CCCN)n1.
What is the InChIKey of 3-[1-(6-methoxy-2-pyridinyl)pyrrolidin-2-yl]propan-1-amine?
The InChIKey is PSQRFLGCKFSDCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-17-13-8-2-7-12(15-13)16-10-4-6-11(16)5-3-9-14/h2,7-8,11H,3-6,9-10,14H2,1H3.
What are the key properties of 3-[1-(6-methoxy-2-pyridinyl)pyrrolidin-2-yl]propan-1-amine?
3-[1-(6-methoxy-2-pyridinyl)pyrrolidin-2-yl]propan-1-amine has a molecular weight of 235.33 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(6-methoxy-2-pyridinyl)pyrrolidin-2-yl]propan-1-amine is sourced from PubChem (CID 55241037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).