2,6-dimethyl-1-oxo-2H-pyridin-1-ium-4-amine

C7H11N2O+ — CID 6332216

IUPAC2,6-dimethyl-1-oxo-2H-pyridin-1-ium-4-amine
SMILESCC1=CC(N)=CC(C)[N+]1=O
InChIInChI=1S/C7H11N2O/c1-5-3-7(8)4-6(2)9(5)10/h3-5H,8H2,1-2H3/q+1
InChIKeyHZFWNAVCXHPDMT-UHFFFAOYSA-N
MW139.18 g/mol
LogP0.91
Rot. Bonds

About 2,6-dimethyl-1-oxo-2H-pyridin-1-ium-4-amine

2,6-dimethyl-1-oxo-2H-pyridin-1-ium-4-amine (PubChem CID 6332216) has the molecular formula C7H11N2O+ and a molecular weight of 139.18 g/mol. Its IUPAC name is 2,6-dimethyl-1-oxo-2H-pyridin-1-ium-4-amine.

Molecular Properties

Compound Name2,6-dimethyl-1-oxo-2H-pyridin-1-ium-4-amine
PubChem CID6332216
Molecular FormulaC7H11N2O+
Molecular Weight139.18 g/mol
Exact Mass139.09
IUPAC Name2,6-dimethyl-1-oxo-2H-pyridin-1-ium-4-amine
SMILESCC1=CC(N)=CC(C)[N+]1=O
InChIInChI=1S/C7H11N2O/c1-5-3-7(8)4-6(2)9(5)10/h3-5H,8H2,1-2H3/q+1
InChIKeyHZFWNAVCXHPDMT-UHFFFAOYSA-N
XLogP0.91
TPSA46.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.18
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-2,6-dimethyl-2H-pyridin-1-ium 1-oxide
CID 175885619
2-methyl-1,2-dihydropyridine-4,6-diamine
CID 86341509
4-amino-6-methylcyclohexa-2,4-dien-1-one
CID 150471908
3,4,5,6-tetramethylcyclohepta-2,4,7-triene-1,2-diamine
CID 134239252
3,6-dimethylcyclohexa-1,4-diene-1,4-diamine
CID 173312248
1,7-dimethyl-2,3,7,7a-tetrahydro-1H-inden-5-amine
CID 89073832
5-aminocyclohexa-3,5-diene-1,3-diol
CID 89298089
4-amino-6-methyl-2-propylcyclohexa-2,4-dien-1-ol
CID 163779924
6-bromo-2-methyl-2H-pyridin-1-ium 1-oxide
CID 6332195
(3S,4S)-3,4-dimethylcyclohexa-1,5-dien-1-amine
CID 164736851
2-methylthiirene 1-oxide
CID 70525638
ethyl (2-methylcycloprop-2-en-1-yl)methyl carbonate
CID 132530196

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-1-oxo-2H-pyridin-1-ium-4-amine?
The IUPAC name of 2,6-dimethyl-1-oxo-2H-pyridin-1-ium-4-amine (CID 6332216) is 2,6-dimethyl-1-oxo-2H-pyridin-1-ium-4-amine.
What is the SMILES notation for 2,6-dimethyl-1-oxo-2H-pyridin-1-ium-4-amine?
The canonical SMILES for 2,6-dimethyl-1-oxo-2H-pyridin-1-ium-4-amine is CC1=CC(N)=CC(C)[N+]1=O.
What is the InChIKey of 2,6-dimethyl-1-oxo-2H-pyridin-1-ium-4-amine?
The InChIKey is HZFWNAVCXHPDMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N2O/c1-5-3-7(8)4-6(2)9(5)10/h3-5H,8H2,1-2H3/q+1.
What are the key properties of 2,6-dimethyl-1-oxo-2H-pyridin-1-ium-4-amine?
2,6-dimethyl-1-oxo-2H-pyridin-1-ium-4-amine has a molecular weight of 139.18 g/mol, XLogP of 0.91, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-1-oxo-2H-pyridin-1-ium-4-amine is sourced from PubChem (CID 6332216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).