(1R)-1-(1-hydroxy-6-methylpyridin-1-ium-3-yl)ethanamine

C8H13N2O+ — CID 58403061

IUPAC(1R)-1-(1-hydroxy-6-methylpyridin-1-ium-3-yl)ethanamine
SMILESCc1ccc([C@@H](C)N)c[n+]1O
InChIInChI=1S/C8H13N2O/c1-6-3-4-8(7(2)9)5-10(6)11/h3-5,7,11H,9H2,1-2H3/q+1/t7-/m1/s1
InChIKeyOGWYXHWIYMUCNT-SSDOTTSWSA-N
MW153.20 g/mol
LogP0.54
Rot. Bonds1

About (1R)-1-(1-hydroxy-6-methylpyridin-1-ium-3-yl)ethanamine

(1R)-1-(1-hydroxy-6-methylpyridin-1-ium-3-yl)ethanamine (PubChem CID 58403061) has the molecular formula C8H13N2O+ and a molecular weight of 153.20 g/mol. Its IUPAC name is (1R)-1-(1-hydroxy-6-methylpyridin-1-ium-3-yl)ethanamine.

Molecular Properties

Compound Name(1R)-1-(1-hydroxy-6-methylpyridin-1-ium-3-yl)ethanamine
PubChem CID58403061
Molecular FormulaC8H13N2O+
Molecular Weight153.20 g/mol
Exact Mass153.10
IUPAC Name(1R)-1-(1-hydroxy-6-methylpyridin-1-ium-3-yl)ethanamine
SMILESCc1ccc([C@@H](C)N)c[n+]1O
InChIInChI=1S/C8H13N2O/c1-6-3-4-8(7(2)9)5-10(6)11/h3-5,7,11H,9H2,1-2H3/q+1/t7-/m1/s1
InChIKeyOGWYXHWIYMUCNT-SSDOTTSWSA-N
XLogP0.54
TPSA50.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.20
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

5-[(2S)-3,3-dimethylbutan-2-yl]-1-hydroxy-2-methylpyridin-1-ium
CID 58051714
4-[(1R)-1-aminoethyl]phenol;hydrochloride
CID 127264624
4-[(1R)-1-aminoethyl]-2-methylphenol
CID 59272894
(1R)-1-(4-ethylphenyl)ethanamine
CID 2063952
(1R)-1-(3,4-dimethylphenyl)ethanamine
CID 7022091
(1S)-1-(4-propan-2-yloxyphenyl)ethanamine
CID 7446792
N-[[4-(1-aminoethyl)phenyl]methyl]methanesulfonamide
CID 119990191
(1R)-1-(4-iodophenyl)ethanamine
CID 15930770
1-[4-(1-aminoethyl)phenyl]ethanone
CID 45086260
1-(4-cyclopropylphenyl)ethanamine
CID 55211304
(1S)-1-(4-bromophenyl)ethanamine;hydrochloride
CID 53484870
(1S)-1-[4-[(4-ethylphenyl)methyl]phenyl]ethanamine
CID 174082683

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(1-hydroxy-6-methylpyridin-1-ium-3-yl)ethanamine?
The IUPAC name of (1R)-1-(1-hydroxy-6-methylpyridin-1-ium-3-yl)ethanamine (CID 58403061) is (1R)-1-(1-hydroxy-6-methylpyridin-1-ium-3-yl)ethanamine.
What is the SMILES notation for (1R)-1-(1-hydroxy-6-methylpyridin-1-ium-3-yl)ethanamine?
The canonical SMILES for (1R)-1-(1-hydroxy-6-methylpyridin-1-ium-3-yl)ethanamine is Cc1ccc([C@@H](C)N)c[n+]1O.
What is the InChIKey of (1R)-1-(1-hydroxy-6-methylpyridin-1-ium-3-yl)ethanamine?
The InChIKey is OGWYXHWIYMUCNT-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H13N2O/c1-6-3-4-8(7(2)9)5-10(6)11/h3-5,7,11H,9H2,1-2H3/q+1/t7-/m1/s1.
What are the key properties of (1R)-1-(1-hydroxy-6-methylpyridin-1-ium-3-yl)ethanamine?
(1R)-1-(1-hydroxy-6-methylpyridin-1-ium-3-yl)ethanamine has a molecular weight of 153.20 g/mol, XLogP of 0.54, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(1-hydroxy-6-methylpyridin-1-ium-3-yl)ethanamine is sourced from PubChem (CID 58403061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).