1-[6-[(1R)-1-aminopropyl]-3-pyridinyl]-3-methylpyrrolidin-3-ol

C13H21N3O — CID 103356557

IUPAC1-[6-[(1R)-1-aminopropyl]-3-pyridinyl]-3-methylpyrrolidin-3-ol
SMILESCC[C@@H](N)c1ccc(N2CCC(C)(O)C2)cn1
InChIInChI=1S/C13H21N3O/c1-3-11(14)12-5-4-10(8-15-12)16-7-6-13(2,17)9-16/h4-5,8,11,17H,3,6-7,9,14H2,1-2H3/t11-,13?/m1/s1
InChIKeyQFFUMRYKYDUQPA-JTDNENJMSA-N
MW235.33 g/mol
LogP1.45
Rot. Bonds3

About 1-[6-[(1R)-1-aminopropyl]-3-pyridinyl]-3-methylpyrrolidin-3-ol

1-[6-[(1R)-1-aminopropyl]-3-pyridinyl]-3-methylpyrrolidin-3-ol (PubChem CID 103356557) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-[6-[(1R)-1-aminopropyl]-3-pyridinyl]-3-methylpyrrolidin-3-ol.

Molecular Properties

Compound Name1-[6-[(1R)-1-aminopropyl]-3-pyridinyl]-3-methylpyrrolidin-3-ol
PubChem CID103356557
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name1-[6-[(1R)-1-aminopropyl]-3-pyridinyl]-3-methylpyrrolidin-3-ol
SMILESCC[C@@H](N)c1ccc(N2CCC(C)(O)C2)cn1
InChIInChI=1S/C13H21N3O/c1-3-11(14)12-5-4-10(8-15-12)16-7-6-13(2,17)9-16/h4-5,8,11,17H,3,6-7,9,14H2,1-2H3/t11-,13?/m1/s1
InChIKeyQFFUMRYKYDUQPA-JTDNENJMSA-N
XLogP1.45
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-(3,3-dimethylpyrrolidin-1-yl)-2-pyridinyl]propan-1-amine
CID 112584521
3-methyl-1-(6-propan-2-yl-3-pyridinyl)pyrrolidin-3-ol
CID 153422486
1-[6-[(1R)-1-aminopropyl]-3-pyridinyl]piperidin-4-ol
CID 103936925
1-[6-[(1S)-1-hydroxypropyl]-3-pyridinyl]-4-methylazepan-4-ol
CID 107405251
(1S)-1-[5-(1,1-dioxo-1,4-thiazinan-4-yl)-2-pyridinyl]propan-1-amine
CID 103937012
(1R)-1-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]propan-1-amine
CID 113355072
1-[1-[6-(1-aminopropyl)-3-pyridinyl]piperidin-4-yl]ethanol
CID 106836278
(1S)-1-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]propan-1-amine
CID 103936871
(1S)-1-[5-(3,4-dimethylpyrrolidin-1-yl)-2-pyridinyl]propan-1-amine
CID 113355142
1-[6-[(1R)-1-hydroxyethyl]-3-pyridinyl]-4-methylpiperidin-4-ol
CID 83132184
1-[5-(3-methylpyrrolidin-1-yl)-2-pyridinyl]propan-1-amine
CID 112584254
1-[5-(1-oxo-1,4-thiazinan-4-yl)-2-pyridinyl]propan-1-amine
CID 112584315

Frequently Asked Questions

What is the IUPAC name of 1-[6-[(1R)-1-aminopropyl]-3-pyridinyl]-3-methylpyrrolidin-3-ol?
The IUPAC name of 1-[6-[(1R)-1-aminopropyl]-3-pyridinyl]-3-methylpyrrolidin-3-ol (CID 103356557) is 1-[6-[(1R)-1-aminopropyl]-3-pyridinyl]-3-methylpyrrolidin-3-ol.
What is the SMILES notation for 1-[6-[(1R)-1-aminopropyl]-3-pyridinyl]-3-methylpyrrolidin-3-ol?
The canonical SMILES for 1-[6-[(1R)-1-aminopropyl]-3-pyridinyl]-3-methylpyrrolidin-3-ol is CC[C@@H](N)c1ccc(N2CCC(C)(O)C2)cn1.
What is the InChIKey of 1-[6-[(1R)-1-aminopropyl]-3-pyridinyl]-3-methylpyrrolidin-3-ol?
The InChIKey is QFFUMRYKYDUQPA-JTDNENJMSA-N. The full InChI is InChI=1S/C13H21N3O/c1-3-11(14)12-5-4-10(8-15-12)16-7-6-13(2,17)9-16/h4-5,8,11,17H,3,6-7,9,14H2,1-2H3/t11-,13?/m1/s1.
What are the key properties of 1-[6-[(1R)-1-aminopropyl]-3-pyridinyl]-3-methylpyrrolidin-3-ol?
1-[6-[(1R)-1-aminopropyl]-3-pyridinyl]-3-methylpyrrolidin-3-ol has a molecular weight of 235.33 g/mol, XLogP of 1.45, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[(1R)-1-aminopropyl]-3-pyridinyl]-3-methylpyrrolidin-3-ol is sourced from PubChem (CID 103356557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).