5-methyl-1-(2-methylpropanimidoyl)pyridin-2-imine

C10H15N3 — CID 91128581

IUPAC5-methyl-1-(2-methylpropanimidoyl)pyridin-2-imine
SMILES[H]/N=C(\C(C)C)n1cc(C)cc/c1=N\[H]
InChIInChI=1S/C10H15N3/c1-7(2)10(12)13-6-8(3)4-5-9(13)11/h4-7,11-12H,1-3H3/b11-9+,12-10+
InChIKeyQVHNEEZVJJKVLW-WGDLNXRISA-N
MW177.25 g/mol
LogP1.76
Rot. Bonds1

About 5-methyl-1-(2-methylpropanimidoyl)pyridin-2-imine

5-methyl-1-(2-methylpropanimidoyl)pyridin-2-imine (PubChem CID 91128581) has the molecular formula C10H15N3 and a molecular weight of 177.25 g/mol. Its IUPAC name is 5-methyl-1-(2-methylpropanimidoyl)pyridin-2-imine.

Molecular Properties

Compound Name5-methyl-1-(2-methylpropanimidoyl)pyridin-2-imine
PubChem CID91128581
Molecular FormulaC10H15N3
Molecular Weight177.25 g/mol
Exact Mass177.13
IUPAC Name5-methyl-1-(2-methylpropanimidoyl)pyridin-2-imine
SMILES[H]/N=C(\C(C)C)n1cc(C)cc/c1=N\[H]
InChIInChI=1S/C10H15N3/c1-7(2)10(12)13-6-8(3)4-5-9(13)11/h4-7,11-12H,1-3H3/b11-9+,12-10+
InChIKeyQVHNEEZVJJKVLW-WGDLNXRISA-N
XLogP1.76
TPSA52.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-Fluoro-1-(2-methylpropanimidoyl)pyridin-2-imine
CID 90907075
1-Prop-2-enyl-5-(trifluoromethyl)pyridin-2-imine
CID 155236683
1-Ethanimidoyl-5-fluoro-4-methylpyridin-2-imine
CID 172299308
1,5-Dimethyl-2,5-dihydropyridin-6-imine
CID 56607400
1-Butyl-5-tert-butylpyridin-2-imine
CID 66643174
4-Tert-butyl-1-butylpyridin-2(1h)-imine
CID 66643290
5-Ethyl-1-methanimidoylpyridin-2-imine
CID 68338821
1,5-Dimethylpyridin-2-imine
CID 70512128
1,4,5-Trimethylpyridin-2-imine
CID 89231210
1-[(Z)-prop-1-enyl]-2,3-dihydropyridin-6-imine
CID 90136917
1-(1-ethanimidoyl-6-imino-3-pyridinyl)-N-methylmethanamine
CID 123651779
1-(3-Methylbut-1-en-2-yl)pyridin-2-imine
CID 123794310

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(2-methylpropanimidoyl)pyridin-2-imine?
The IUPAC name of 5-methyl-1-(2-methylpropanimidoyl)pyridin-2-imine (CID 91128581) is 5-methyl-1-(2-methylpropanimidoyl)pyridin-2-imine.
What is the SMILES notation for 5-methyl-1-(2-methylpropanimidoyl)pyridin-2-imine?
The canonical SMILES for 5-methyl-1-(2-methylpropanimidoyl)pyridin-2-imine is [H]/N=C(\C(C)C)n1cc(C)cc/c1=N\[H].
What is the InChIKey of 5-methyl-1-(2-methylpropanimidoyl)pyridin-2-imine?
The InChIKey is QVHNEEZVJJKVLW-WGDLNXRISA-N. The full InChI is InChI=1S/C10H15N3/c1-7(2)10(12)13-6-8(3)4-5-9(13)11/h4-7,11-12H,1-3H3/b11-9+,12-10+.
What are the key properties of 5-methyl-1-(2-methylpropanimidoyl)pyridin-2-imine?
5-methyl-1-(2-methylpropanimidoyl)pyridin-2-imine has a molecular weight of 177.25 g/mol, XLogP of 1.76, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(2-methylpropanimidoyl)pyridin-2-imine is sourced from PubChem (CID 91128581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).