1-amino-1-[6-(hydroxymethyl)-3-pyridinyl]propan-2-ol

C9H14N2O2 — CID 55292836

IUPAC1-amino-1-[6-(hydroxymethyl)-3-pyridinyl]propan-2-ol
SMILESCC(O)C(N)c1ccc(CO)nc1
InChIInChI=1S/C9H14N2O2/c1-6(13)9(10)7-2-3-8(5-12)11-4-7/h2-4,6,9,12-13H,5,10H2,1H3
InChIKeyUWQWEXUGEVTMCF-UHFFFAOYSA-N
MW182.22 g/mol
LogP-0.05
Rot. Bonds3

About 1-amino-1-[6-(hydroxymethyl)-3-pyridinyl]propan-2-ol

1-amino-1-[6-(hydroxymethyl)-3-pyridinyl]propan-2-ol (PubChem CID 55292836) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 1-amino-1-[6-(hydroxymethyl)-3-pyridinyl]propan-2-ol.

Molecular Properties

Compound Name1-amino-1-[6-(hydroxymethyl)-3-pyridinyl]propan-2-ol
PubChem CID55292836
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name1-amino-1-[6-(hydroxymethyl)-3-pyridinyl]propan-2-ol
SMILESCC(O)C(N)c1ccc(CO)nc1
InChIInChI=1S/C9H14N2O2/c1-6(13)9(10)7-2-3-8(5-12)11-4-7/h2-4,6,9,12-13H,5,10H2,1H3
InChIKeyUWQWEXUGEVTMCF-UHFFFAOYSA-N
XLogP-0.05
TPSA79.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 5-0.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(1-aminopropan-2-yl)-2-pyridinyl]methanol
CID 70082988
(2S)-2-amino-2-[6-(hydroxymethyl)-3-pyridinyl]ethanol
CID 55263220
[5-[(1R)-1-aminobutyl]-2-pyridinyl]methanol
CID 55276847
(1S)-1-amino-1-(6-methoxy-3-pyridinyl)propan-2-ol
CID 130700644
(1R)-1-(6-ethyl-3-pyridinyl)ethanamine
CID 124547255
1-(6-ethyl-3-pyridinyl)ethanol
CID 88974864
1-[6-(hydroxymethyl)-3-pyridinyl]-4-sulfanylbutane-1,2-diol
CID 171873865
(1S,2R)-1-amino-1-(4-propan-2-ylphenyl)propan-2-ol;hydrochloride
CID 171162397
4-[(1R)-1-amino-2-hydroxypropyl]phenol
CID 130840642
5-[(1S)-1-amino-2-methylpropyl]pyridin-2-amine
CID 130619060
(1R,2R)-1-amino-1-(4-ethylphenyl)propan-2-ol
CID 93284110
2-[6-(2-hydroxyethyl)-3-pyridinyl]propanamide
CID 144516076

Frequently Asked Questions

What is the IUPAC name of 1-amino-1-[6-(hydroxymethyl)-3-pyridinyl]propan-2-ol?
The IUPAC name of 1-amino-1-[6-(hydroxymethyl)-3-pyridinyl]propan-2-ol (CID 55292836) is 1-amino-1-[6-(hydroxymethyl)-3-pyridinyl]propan-2-ol.
What is the SMILES notation for 1-amino-1-[6-(hydroxymethyl)-3-pyridinyl]propan-2-ol?
The canonical SMILES for 1-amino-1-[6-(hydroxymethyl)-3-pyridinyl]propan-2-ol is CC(O)C(N)c1ccc(CO)nc1.
What is the InChIKey of 1-amino-1-[6-(hydroxymethyl)-3-pyridinyl]propan-2-ol?
The InChIKey is UWQWEXUGEVTMCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-6(13)9(10)7-2-3-8(5-12)11-4-7/h2-4,6,9,12-13H,5,10H2,1H3.
What are the key properties of 1-amino-1-[6-(hydroxymethyl)-3-pyridinyl]propan-2-ol?
1-amino-1-[6-(hydroxymethyl)-3-pyridinyl]propan-2-ol has a molecular weight of 182.22 g/mol, XLogP of -0.05, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-1-[6-(hydroxymethyl)-3-pyridinyl]propan-2-ol is sourced from PubChem (CID 55292836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).