1-(pyridin-3-ylmethylamino)butan-2-ol

C10H16N2O — CID 18726795

IUPAC1-(pyridin-3-ylmethylamino)butan-2-ol
SMILESCCC(O)CNCc1cccnc1
InChIInChI=1S/C10H16N2O/c1-2-10(13)8-12-7-9-4-3-5-11-6-9/h3-6,10,12-13H,2,7-8H2,1H3
InChIKeyOFRYSJQAJGTCDA-UHFFFAOYSA-N
MW180.25 g/mol
LogP0.94
Rot. Bonds5

About 1-(pyridin-3-ylmethylamino)butan-2-ol

1-(pyridin-3-ylmethylamino)butan-2-ol (PubChem CID 18726795) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 1-(pyridin-3-ylmethylamino)butan-2-ol.

Molecular Properties

Compound Name1-(pyridin-3-ylmethylamino)butan-2-ol
PubChem CID18726795
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name1-(pyridin-3-ylmethylamino)butan-2-ol
SMILESCCC(O)CNCc1cccnc1
InChIInChI=1S/C10H16N2O/c1-2-10(13)8-12-7-9-4-3-5-11-6-9/h3-6,10,12-13H,2,7-8H2,1H3
InChIKeyOFRYSJQAJGTCDA-UHFFFAOYSA-N
XLogP0.94
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-3-(pyridin-3-ylmethylamino)propane-1,2-diol
CID 94252864
1-cyclopentyl-3-(pyridin-3-ylmethylamino)propan-2-ol
CID 103157191
1-phenyl-N-(pyridin-3-ylmethyl)methanamine;N-(pyridin-3-ylmethyl)ethanamine
CID 174270590
1-[(3-ethylphenyl)methylamino]butan-2-ol
CID 142241799
2-methyl-3-(pyridin-3-ylmethylamino)propanenitrile
CID 43242702
methyl (2S)-2-methyl-3-(pyridin-3-ylmethylamino)propanoate
CID 93035167
(2S)-3-amino-4-phenyl-1-(pyridin-3-ylmethylamino)butan-2-ol
CID 142662312
2,3-dimethyl-1-(pyridin-3-ylmethylamino)pentan-2-ol
CID 111118943
1-pyridin-3-ylpentan-2-ol
CID 62553061
1-(4-chloro-3-methylphenoxy)-3-(pyridin-3-ylmethylamino)propan-2-ol
CID 60633949
1-(furan-2-ylmethoxy)-3-(pyridin-3-ylmethylamino)propan-2-ol
CID 60633593
1-[(3-ethoxyphenyl)methylamino]butan-2-ol
CID 60884367

Frequently Asked Questions

What is the IUPAC name of 1-(pyridin-3-ylmethylamino)butan-2-ol?
The IUPAC name of 1-(pyridin-3-ylmethylamino)butan-2-ol (CID 18726795) is 1-(pyridin-3-ylmethylamino)butan-2-ol.
What is the SMILES notation for 1-(pyridin-3-ylmethylamino)butan-2-ol?
The canonical SMILES for 1-(pyridin-3-ylmethylamino)butan-2-ol is CCC(O)CNCc1cccnc1.
What is the InChIKey of 1-(pyridin-3-ylmethylamino)butan-2-ol?
The InChIKey is OFRYSJQAJGTCDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-2-10(13)8-12-7-9-4-3-5-11-6-9/h3-6,10,12-13H,2,7-8H2,1H3.
What are the key properties of 1-(pyridin-3-ylmethylamino)butan-2-ol?
1-(pyridin-3-ylmethylamino)butan-2-ol has a molecular weight of 180.25 g/mol, XLogP of 0.94, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(pyridin-3-ylmethylamino)butan-2-ol is sourced from PubChem (CID 18726795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).