(3-methoxy-5-methyl-1-oxidopyridin-1-ium-2-yl)methanamine

C8H12N2O2 — CID 145148761

IUPAC(3-methoxy-5-methyl-1-oxidopyridin-1-ium-2-yl)methanamine
SMILESCOc1cc(C)c[n+]([O-])c1CN
InChIInChI=1S/C8H12N2O2/c1-6-3-8(12-2)7(4-9)10(11)5-6/h3,5H,4,9H2,1-2H3
InChIKeyQAFVDMYXERTSLD-UHFFFAOYSA-N
MW168.20 g/mol
LogP0.10
Rot. Bonds2

About (3-methoxy-5-methyl-1-oxidopyridin-1-ium-2-yl)methanamine

(3-methoxy-5-methyl-1-oxidopyridin-1-ium-2-yl)methanamine (PubChem CID 145148761) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is (3-methoxy-5-methyl-1-oxidopyridin-1-ium-2-yl)methanamine.

Molecular Properties

Compound Name(3-methoxy-5-methyl-1-oxidopyridin-1-ium-2-yl)methanamine
PubChem CID145148761
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name(3-methoxy-5-methyl-1-oxidopyridin-1-ium-2-yl)methanamine
SMILESCOc1cc(C)c[n+]([O-])c1CN
InChIInChI=1S/C8H12N2O2/c1-6-3-8(12-2)7(4-9)10(11)5-6/h3,5H,4,9H2,1-2H3
InChIKeyQAFVDMYXERTSLD-UHFFFAOYSA-N
XLogP0.10
TPSA62.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2,6-dimethoxy-4-methylphenyl)methanamine
CID 58024962
(3-methoxy-2,5-dimethylphenyl)methanamine
CID 119023643
N'-(2-methoxy-4,6-dimethylphenyl)methanediamine
CID 115225448
1,3-dimethoxy-2,5-dimethylbenzene
CID 524839
(5-chloro-4-methoxy-2-methylphenyl)methanamine
CID 82281020
2-amino-1-(2-chloro-6-methoxy-4-methylphenyl)ethanol
CID 84784457
[2-(2-methoxyphenoxy)-4-methylphenyl]methanamine
CID 62306948
(5-fluoro-2-methoxyphenyl)methanamine
CID 18348829
O-(2-methoxy-4-methylphenyl)hydroxylamine
CID 56611281
[5-(2-methoxy-4,6-dimethylphenyl)-1-methyl-1,2,4-triazol-3-yl]methanamine
CID 82479524
[2-methoxy-5-[(4-methylphenyl)sulfonylmethyl]phenyl]methanamine
CID 65343771
(3,4,5-trimethoxy-2-methylphenyl)methanamine
CID 174928616

Frequently Asked Questions

What is the IUPAC name of (3-methoxy-5-methyl-1-oxidopyridin-1-ium-2-yl)methanamine?
The IUPAC name of (3-methoxy-5-methyl-1-oxidopyridin-1-ium-2-yl)methanamine (CID 145148761) is (3-methoxy-5-methyl-1-oxidopyridin-1-ium-2-yl)methanamine.
What is the SMILES notation for (3-methoxy-5-methyl-1-oxidopyridin-1-ium-2-yl)methanamine?
The canonical SMILES for (3-methoxy-5-methyl-1-oxidopyridin-1-ium-2-yl)methanamine is COc1cc(C)c[n+]([O-])c1CN.
What is the InChIKey of (3-methoxy-5-methyl-1-oxidopyridin-1-ium-2-yl)methanamine?
The InChIKey is QAFVDMYXERTSLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-6-3-8(12-2)7(4-9)10(11)5-6/h3,5H,4,9H2,1-2H3.
What are the key properties of (3-methoxy-5-methyl-1-oxidopyridin-1-ium-2-yl)methanamine?
(3-methoxy-5-methyl-1-oxidopyridin-1-ium-2-yl)methanamine has a molecular weight of 168.20 g/mol, XLogP of 0.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxy-5-methyl-1-oxidopyridin-1-ium-2-yl)methanamine is sourced from PubChem (CID 145148761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).