(6-methyl-1,2-dihydropyridin-4-yl)methanimine

C7H10N2 — CID 118486764

IUPAC(6-methyl-1,2-dihydropyridin-4-yl)methanimine
SMILES[H]/N=C/C1=CCNC(C)=C1
InChIInChI=1S/C7H10N2/c1-6-4-7(5-8)2-3-9-6/h2,4-5,8-9H,3H2,1H3/b8-5+
InChIKeyJMDURNVRZIJMFW-VMPITWQZSA-N
MW122.17 g/mol
LogP1.07
Rot. Bonds1

About (6-methyl-1,2-dihydropyridin-4-yl)methanimine

(6-methyl-1,2-dihydropyridin-4-yl)methanimine (PubChem CID 118486764) has the molecular formula C7H10N2 and a molecular weight of 122.17 g/mol. Its IUPAC name is (6-methyl-1,2-dihydropyridin-4-yl)methanimine.

Molecular Properties

Compound Name(6-methyl-1,2-dihydropyridin-4-yl)methanimine
PubChem CID118486764
Molecular FormulaC7H10N2
Molecular Weight122.17 g/mol
Exact Mass122.08
IUPAC Name(6-methyl-1,2-dihydropyridin-4-yl)methanimine
SMILES[H]/N=C/C1=CCNC(C)=C1
InChIInChI=1S/C7H10N2/c1-6-4-7(5-8)2-3-9-6/h2,4-5,8-9H,3H2,1H3/b8-5+
InChIKeyJMDURNVRZIJMFW-VMPITWQZSA-N
XLogP1.07
TPSA35.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.17
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 (6-methyl-1,2-dihydropyridin-4-yl)methanimine?
The IUPAC name of (6-methyl-1,2-dihydropyridin-4-yl)methanimine (CID 118486764) is (6-methyl-1,2-dihydropyridin-4-yl)methanimine.
What is the SMILES notation for (6-methyl-1,2-dihydropyridin-4-yl)methanimine?
The canonical SMILES for (6-methyl-1,2-dihydropyridin-4-yl)methanimine is [H]/N=C/C1=CCNC(C)=C1.
What is the InChIKey of (6-methyl-1,2-dihydropyridin-4-yl)methanimine?
The InChIKey is JMDURNVRZIJMFW-VMPITWQZSA-N. The full InChI is InChI=1S/C7H10N2/c1-6-4-7(5-8)2-3-9-6/h2,4-5,8-9H,3H2,1H3/b8-5+.
What are the key properties of (6-methyl-1,2-dihydropyridin-4-yl)methanimine?
(6-methyl-1,2-dihydropyridin-4-yl)methanimine has a molecular weight of 122.17 g/mol, XLogP of 1.07, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methyl-1,2-dihydropyridin-4-yl)methanimine is sourced from PubChem (CID 118486764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).