3-amino-1-pyridin-2-ylbutan-1-ol

C9H14N2O — CID 151032283

IUPAC3-amino-1-pyridin-2-ylbutan-1-ol
SMILESCC(N)CC(O)c1ccccn1
InChIInChI=1S/C9H14N2O/c1-7(10)6-9(12)8-4-2-3-5-11-8/h2-5,7,9,12H,6,10H2,1H3
InChIKeyMAHYLTGWPJOGGF-UHFFFAOYSA-N
MW166.22 g/mol
LogP0.85
Rot. Bonds3

About 3-amino-1-pyridin-2-ylbutan-1-ol

3-amino-1-pyridin-2-ylbutan-1-ol (PubChem CID 151032283) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 3-amino-1-pyridin-2-ylbutan-1-ol.

Molecular Properties

Compound Name3-amino-1-pyridin-2-ylbutan-1-ol
PubChem CID151032283
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name3-amino-1-pyridin-2-ylbutan-1-ol
SMILESCC(N)CC(O)c1ccccn1
InChIInChI=1S/C9H14N2O/c1-7(10)6-9(12)8-4-2-3-5-11-8/h2-5,7,9,12H,6,10H2,1H3
InChIKeyMAHYLTGWPJOGGF-UHFFFAOYSA-N
XLogP0.85
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-hydroxy-4-pyridin-2-ylbutane-2-sulfonamide
CID 140565025
5-methyl-1-pyridin-2-ylhexan-1-ol
CID 83158842
2-chloro-1-pyridin-2-ylethanol
CID 22145518
3-amino-3-methyl-1-pyridin-2-ylbutan-1-ol
CID 82408899
2-amino-3-methyl-1-pyridin-2-ylbutan-1-ol
CID 82280795
(1S)-1-pyridin-2-ylethanol;hydrochloride
CID 71757448
(3R)-3-pyridin-2-ylbutan-2-amine
CID 140704268
(1S)-2-methyl-1-pyridin-2-ylpropan-1-ol
CID 51670363
(1S,2S)-1-pyridin-2-ylpropane-1,2-diol
CID 28766943
(1R,2S)-1-pyridin-2-ylpropane-1,2-diamine
CID 131142947
1,2-dipyridin-2-ylethanol
CID 11458306
1-pyridin-2-ylpent-3-yn-1-ol
CID 62309977

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-pyridin-2-ylbutan-1-ol?
The IUPAC name of 3-amino-1-pyridin-2-ylbutan-1-ol (CID 151032283) is 3-amino-1-pyridin-2-ylbutan-1-ol.
What is the SMILES notation for 3-amino-1-pyridin-2-ylbutan-1-ol?
The canonical SMILES for 3-amino-1-pyridin-2-ylbutan-1-ol is CC(N)CC(O)c1ccccn1.
What is the InChIKey of 3-amino-1-pyridin-2-ylbutan-1-ol?
The InChIKey is MAHYLTGWPJOGGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-7(10)6-9(12)8-4-2-3-5-11-8/h2-5,7,9,12H,6,10H2,1H3.
What are the key properties of 3-amino-1-pyridin-2-ylbutan-1-ol?
3-amino-1-pyridin-2-ylbutan-1-ol has a molecular weight of 166.22 g/mol, XLogP of 0.85, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-pyridin-2-ylbutan-1-ol is sourced from PubChem (CID 151032283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).