[dimethylamino-[[4-(dimethylamino)-2-pyridinyl]oxy]methylidene]-dimethylazanium

C12H21N4O+ — CID 158823992

IUPAC[dimethylamino-[[4-(dimethylamino)-2-pyridinyl]oxy]methylidene]-dimethylazanium
SMILESCN(C)C(Oc1cc(N(C)C)ccn1)=[N+](C)C
InChIInChI=1S/C12H21N4O/c1-14(2)10-7-8-13-11(9-10)17-12(15(3)4)16(5)6/h7-9H,1-6H3/q+1
InChIKeyIWFLKDXVEIHNIG-UHFFFAOYSA-N
MW237.33 g/mol
LogP0.72
Rot. Bonds2

About [dimethylamino-[[4-(dimethylamino)-2-pyridinyl]oxy]methylidene]-dimethylazanium

[dimethylamino-[[4-(dimethylamino)-2-pyridinyl]oxy]methylidene]-dimethylazanium (PubChem CID 158823992) has the molecular formula C12H21N4O+ and a molecular weight of 237.33 g/mol. Its IUPAC name is [dimethylamino-[[4-(dimethylamino)-2-pyridinyl]oxy]methylidene]-dimethylazanium.

Molecular Properties

Compound Name[dimethylamino-[[4-(dimethylamino)-2-pyridinyl]oxy]methylidene]-dimethylazanium
PubChem CID158823992
Molecular FormulaC12H21N4O+
Molecular Weight237.33 g/mol
Exact Mass237.17
IUPAC Name[dimethylamino-[[4-(dimethylamino)-2-pyridinyl]oxy]methylidene]-dimethylazanium
SMILESCN(C)C(Oc1cc(N(C)C)ccn1)=[N+](C)C
InChIInChI=1S/C12H21N4O/c1-14(2)10-7-8-13-11(9-10)17-12(15(3)4)16(5)6/h7-9H,1-6H3/q+1
InChIKeyIWFLKDXVEIHNIG-UHFFFAOYSA-N
XLogP0.72
TPSA31.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.33
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

1-[4-(dimethylamino)-2-pyridinyl]ethanone
CID 58420853
5-[(2-methoxy-4-pyridinyl)-methylamino]pentan-1-ol
CID 107203261
2-[4-(dimethylamino)phenyl]-N,N-dimethylpyridin-4-amine
CID 54101917
4-methoxy-N,N-dimethylquinolin-6-amine
CID 157042980
2-(chloromethyl)-N,N-dimethylpyridin-4-amine;dihydrochloride
CID 154776295
2-[6-[4-(dimethylamino)-2-pyridinyl]-2-pyridinyl]-N,N-dimethylpyridin-4-amine
CID 11045401
N,N-dimethyl-2-propylpyridin-4-amine
CID 154100065
2-[3-[3-[[4-(dimethylamino)-2-pyridinyl]oxy]phenyl]benzo[b][1]benzoborol-5-yl]-N,N-dimethylpyridin-4-amine
CID 153421588
1-[4-(dimethylamino)-2-pyridinyl]prop-2-en-1-ol
CID 130130424
N,N-dimethyl-2-(4,5,6-trichloropyrimidin-2-yl)pyridin-4-amine
CID 87337521
[6-(dimethylamino)quinolin-4-yl] N-methylcarbamate
CID 139034930
6-N,6-N-dimethylquinoline-4,6-diamine
CID 62190283

Frequently Asked Questions

What is the IUPAC name of [dimethylamino-[[4-(dimethylamino)-2-pyridinyl]oxy]methylidene]-dimethylazanium?
The IUPAC name of [dimethylamino-[[4-(dimethylamino)-2-pyridinyl]oxy]methylidene]-dimethylazanium (CID 158823992) is [dimethylamino-[[4-(dimethylamino)-2-pyridinyl]oxy]methylidene]-dimethylazanium.
What is the SMILES notation for [dimethylamino-[[4-(dimethylamino)-2-pyridinyl]oxy]methylidene]-dimethylazanium?
The canonical SMILES for [dimethylamino-[[4-(dimethylamino)-2-pyridinyl]oxy]methylidene]-dimethylazanium is CN(C)C(Oc1cc(N(C)C)ccn1)=[N+](C)C.
What is the InChIKey of [dimethylamino-[[4-(dimethylamino)-2-pyridinyl]oxy]methylidene]-dimethylazanium?
The InChIKey is IWFLKDXVEIHNIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N4O/c1-14(2)10-7-8-13-11(9-10)17-12(15(3)4)16(5)6/h7-9H,1-6H3/q+1.
What are the key properties of [dimethylamino-[[4-(dimethylamino)-2-pyridinyl]oxy]methylidene]-dimethylazanium?
[dimethylamino-[[4-(dimethylamino)-2-pyridinyl]oxy]methylidene]-dimethylazanium has a molecular weight of 237.33 g/mol, XLogP of 0.72, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [dimethylamino-[[4-(dimethylamino)-2-pyridinyl]oxy]methylidene]-dimethylazanium is sourced from PubChem (CID 158823992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).