3,3-dimethylpyridin-2-imine

C7H10N2 — CID 166980590

IUPAC3,3-dimethylpyridin-2-imine
SMILES[H]/N=C1\N=CC=CC1(C)C
InChIInChI=1S/C7H10N2/c1-7(2)4-3-5-9-6(7)8/h3-5,8H,1-2H3/b8-6-
InChIKeyKTUGOJKUHIDXNR-VURMDHGXSA-N
MW122.17 g/mol
LogP1.63
Rot. Bonds

About 3,3-dimethylpyridin-2-imine

3,3-dimethylpyridin-2-imine (PubChem CID 166980590) has the molecular formula C7H10N2 and a molecular weight of 122.17 g/mol. Its IUPAC name is 3,3-dimethylpyridin-2-imine.

Molecular Properties

Compound Name3,3-dimethylpyridin-2-imine
PubChem CID166980590
Molecular FormulaC7H10N2
Molecular Weight122.17 g/mol
Exact Mass122.08
IUPAC Name3,3-dimethylpyridin-2-imine
SMILES[H]/N=C1\N=CC=CC1(C)C
InChIInChI=1S/C7H10N2/c1-7(2)4-3-5-9-6(7)8/h3-5,8H,1-2H3/b8-6-
InChIKeyKTUGOJKUHIDXNR-VURMDHGXSA-N
XLogP1.63
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.17
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethylpyridin-2-imine?
The IUPAC name of 3,3-dimethylpyridin-2-imine (CID 166980590) is 3,3-dimethylpyridin-2-imine.
What is the SMILES notation for 3,3-dimethylpyridin-2-imine?
The canonical SMILES for 3,3-dimethylpyridin-2-imine is [H]/N=C1\N=CC=CC1(C)C.
What is the InChIKey of 3,3-dimethylpyridin-2-imine?
The InChIKey is KTUGOJKUHIDXNR-VURMDHGXSA-N. The full InChI is InChI=1S/C7H10N2/c1-7(2)4-3-5-9-6(7)8/h3-5,8H,1-2H3/b8-6-.
What are the key properties of 3,3-dimethylpyridin-2-imine?
3,3-dimethylpyridin-2-imine has a molecular weight of 122.17 g/mol, XLogP of 1.63, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethylpyridin-2-imine is sourced from PubChem (CID 166980590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).