6-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]pyridin-3-ol

C13H21N3O — CID 79776024

IUPAC6-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]pyridin-3-ol
SMILESCCN1CCCC1CNCc1ccc(O)cn1
InChIInChI=1S/C13H21N3O/c1-2-16-7-3-4-12(16)9-14-8-11-5-6-13(17)10-15-11/h5-6,10,12,14,17H,2-4,7-9H2,1H3
InChIKeyITHGREMGXPRSKC-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.36
Rot. Bonds5

About 6-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]pyridin-3-ol

6-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]pyridin-3-ol (PubChem CID 79776024) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 6-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]pyridin-3-ol.

Molecular Properties

Compound Name6-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]pyridin-3-ol
PubChem CID79776024
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name6-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]pyridin-3-ol
SMILESCCN1CCCC1CNCc1ccc(O)cn1
InChIInChI=1S/C13H21N3O/c1-2-16-7-3-4-12(16)9-14-8-11-5-6-13(17)10-15-11/h5-6,10,12,14,17H,2-4,7-9H2,1H3
InChIKeyITHGREMGXPRSKC-UHFFFAOYSA-N
XLogP1.36
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[[(1-ethylpiperidin-4-yl)methylamino]methyl]pyridin-3-ol
CID 79783467
4-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]benzene-1,3-diol
CID 43195840
6-[(cyclopentylmethylamino)methyl]pyridin-3-ol
CID 79776493
N-[(5-chloro-1-methylimidazol-2-yl)methyl]-1-(1-ethylpyrrolidin-2-yl)methanamine
CID 43088242
1-(1-ethylpyrrolidin-2-yl)-N-(pyridin-3-ylmethyl)methanamine
CID 3157143
5-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]-N-propan-2-ylpyrimidin-2-amine
CID 102536699
1-(1-ethylpyrrolidin-2-yl)-N-(quinolin-4-ylmethyl)methanamine
CID 63850213
1-[(2R)-1-ethylpyrrolidin-2-yl]-N-[(4-methylphenyl)methyl]methanamine
CID 51627856
N-benzyl-1-(1-ethylpyrrolidin-2-yl)methanamine;oxalic acid
CID 17053062
6-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]pyridin-3-ol
CID 82980192
N-[(5-methyl-2-pyridinyl)methyl]-1-(1-methylpyrrolidin-2-yl)methanamine
CID 115698907
1-[(2R)-1-ethylpyrrolidin-2-yl]-N-[(4-fluorophenyl)methyl]methanamine
CID 51627868

Frequently Asked Questions

What is the IUPAC name of 6-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]pyridin-3-ol?
The IUPAC name of 6-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]pyridin-3-ol (CID 79776024) is 6-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]pyridin-3-ol.
What is the SMILES notation for 6-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]pyridin-3-ol?
The canonical SMILES for 6-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]pyridin-3-ol is CCN1CCCC1CNCc1ccc(O)cn1.
What is the InChIKey of 6-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]pyridin-3-ol?
The InChIKey is ITHGREMGXPRSKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-2-16-7-3-4-12(16)9-14-8-11-5-6-13(17)10-15-11/h5-6,10,12,14,17H,2-4,7-9H2,1H3.
What are the key properties of 6-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]pyridin-3-ol?
6-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]pyridin-3-ol has a molecular weight of 235.33 g/mol, XLogP of 1.36, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]pyridin-3-ol is sourced from PubChem (CID 79776024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).