N,N-dimethylpyridin-3-amine oxide

C7H10N2O — CID 3448386

IUPACN,N-dimethylpyridin-3-amine oxide
SMILESC[N+](C)([O-])c1cccnc1
InChIInChI=1S/C7H10N2O/c1-9(2,10)7-4-3-5-8-6-7/h3-6H,1-2H3
InChIKeyJCCODVBKNLRZQK-UHFFFAOYSA-N
MW138.17 g/mol
LogP1.15
Rot. Bonds1

About N,N-dimethylpyridin-3-amine oxide

N,N-dimethylpyridin-3-amine oxide (PubChem CID 3448386) has the molecular formula C7H10N2O and a molecular weight of 138.17 g/mol. Its IUPAC name is N,N-dimethylpyridin-3-amine oxide.

Molecular Properties

Compound NameN,N-dimethylpyridin-3-amine oxide
PubChem CID3448386
Molecular FormulaC7H10N2O
Molecular Weight138.17 g/mol
Exact Mass138.08
IUPAC NameN,N-dimethylpyridin-3-amine oxide
SMILESC[N+](C)([O-])c1cccnc1
InChIInChI=1S/C7H10N2O/c1-9(2,10)7-4-3-5-8-6-7/h3-6H,1-2H3
InChIKeyJCCODVBKNLRZQK-UHFFFAOYSA-N
XLogP1.15
TPSA35.95 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

N,N-dimethylpyridin-3-amine oxide;2,4,6-trinitrophenol
CID 44887172
neodymium(3+);pyridine-3-carboxylate
CID 23619365
bis(pyridine-3-carboxylate);ruthenium(2+)
CID 87535471
pyridin-3-olate
CID 14387722
trimethyl-(pyridine-3-carbonylamino)azanium
CID 177120197
bis(3-methylpyridine);palladium(2+);dichloride
CID 71466702
bis(3-methylpyridine);platinum(2+);dichloride
CID 23341677
methyl-dimethylidene-pyridin-3-yl-λ6-sulfane
CID 163825956
ethane;3-ethynylpyridine
CID 143766952
1-pyridin-3-ylethanethione
CID 11815891
bis(2-methylpropane);3-pyridin-3-ylpyridine
CID 158581875
ethane;3-methylpyridine;hydroiodide
CID 143140941

Frequently Asked Questions

What is the IUPAC name of N,N-dimethylpyridin-3-amine oxide?
The IUPAC name of N,N-dimethylpyridin-3-amine oxide (CID 3448386) is N,N-dimethylpyridin-3-amine oxide.
What is the SMILES notation for N,N-dimethylpyridin-3-amine oxide?
The canonical SMILES for N,N-dimethylpyridin-3-amine oxide is C[N+](C)([O-])c1cccnc1.
What is the InChIKey of N,N-dimethylpyridin-3-amine oxide?
The InChIKey is JCCODVBKNLRZQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O/c1-9(2,10)7-4-3-5-8-6-7/h3-6H,1-2H3.
What are the key properties of N,N-dimethylpyridin-3-amine oxide?
N,N-dimethylpyridin-3-amine oxide has a molecular weight of 138.17 g/mol, XLogP of 1.15, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylpyridin-3-amine oxide is sourced from PubChem (CID 3448386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).