N-methyl-1-(5-methyl-2,3-dihydropyridin-6-yl)methanimine

C8H12N2 — CID 130344262

IUPACN-methyl-1-(5-methyl-2,3-dihydropyridin-6-yl)methanimine
SMILESC/N=C/C1=NCCC=C1C
InChIInChI=1S/C8H12N2/c1-7-4-3-5-10-8(7)6-9-2/h4,6H,3,5H2,1-2H3/b9-6+
InChIKeyRQAORQDKVKBBJI-RMKNXTFCSA-N
MW136.20 g/mol
LogP1.48
Rot. Bonds1

About N-methyl-1-(5-methyl-2,3-dihydropyridin-6-yl)methanimine

N-methyl-1-(5-methyl-2,3-dihydropyridin-6-yl)methanimine (PubChem CID 130344262) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is N-methyl-1-(5-methyl-2,3-dihydropyridin-6-yl)methanimine.

Molecular Properties

Compound NameN-methyl-1-(5-methyl-2,3-dihydropyridin-6-yl)methanimine
PubChem CID130344262
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC NameN-methyl-1-(5-methyl-2,3-dihydropyridin-6-yl)methanimine
SMILESC/N=C/C1=NCCC=C1C
InChIInChI=1S/C8H12N2/c1-7-4-3-5-10-8(7)6-9-2/h4,6H,3,5H2,1-2H3/b9-6+
InChIKeyRQAORQDKVKBBJI-RMKNXTFCSA-N
XLogP1.48
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 51.48
H-Bond Donors ≤ 50
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 N-methyl-1-(5-methyl-2,3-dihydropyridin-6-yl)methanimine?
The IUPAC name of N-methyl-1-(5-methyl-2,3-dihydropyridin-6-yl)methanimine (CID 130344262) is N-methyl-1-(5-methyl-2,3-dihydropyridin-6-yl)methanimine.
What is the SMILES notation for N-methyl-1-(5-methyl-2,3-dihydropyridin-6-yl)methanimine?
The canonical SMILES for N-methyl-1-(5-methyl-2,3-dihydropyridin-6-yl)methanimine is C/N=C/C1=NCCC=C1C.
What is the InChIKey of N-methyl-1-(5-methyl-2,3-dihydropyridin-6-yl)methanimine?
The InChIKey is RQAORQDKVKBBJI-RMKNXTFCSA-N. The full InChI is InChI=1S/C8H12N2/c1-7-4-3-5-10-8(7)6-9-2/h4,6H,3,5H2,1-2H3/b9-6+.
What are the key properties of N-methyl-1-(5-methyl-2,3-dihydropyridin-6-yl)methanimine?
N-methyl-1-(5-methyl-2,3-dihydropyridin-6-yl)methanimine has a molecular weight of 136.20 g/mol, XLogP of 1.48, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(5-methyl-2,3-dihydropyridin-6-yl)methanimine is sourced from PubChem (CID 130344262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).