1-(6-methyl-2-pyridinyl)-N-[2-[(6-methyl-2-pyridinyl)methylideneamino]ethyl]methanimine

C16H18N4 — CID 3018656

IUPAC1-(6-methyl-2-pyridinyl)-N-[2-[(6-methyl-2-pyridinyl)methylideneamino]ethyl]methanimine
SMILESCc1cccc(/C=N/CC/N=C/c2cccc(C)n2)n1
InChIInChI=1S/C16H18N4/c1-13-5-3-7-15(19-13)11-17-9-10-18-12-16-8-4-6-14(2)20-16/h3-8,11-12H,9-10H2,1-2H3/b17-11+,18-12+
InChIKeyNCCJTKNIPMUERV-JYFOCSDGSA-N
MW266.35 g/mol
LogP2.63
Rot. Bonds5

About 1-(6-methyl-2-pyridinyl)-N-[2-[(6-methyl-2-pyridinyl)methylideneamino]ethyl]methanimine

1-(6-methyl-2-pyridinyl)-N-[2-[(6-methyl-2-pyridinyl)methylideneamino]ethyl]methanimine (PubChem CID 3018656) has the molecular formula C16H18N4 and a molecular weight of 266.35 g/mol. Its IUPAC name is 1-(6-methyl-2-pyridinyl)-N-[2-[(6-methyl-2-pyridinyl)methylideneamino]ethyl]methanimine.

Molecular Properties

Compound Name1-(6-methyl-2-pyridinyl)-N-[2-[(6-methyl-2-pyridinyl)methylideneamino]ethyl]methanimine
PubChem CID3018656
Molecular FormulaC16H18N4
Molecular Weight266.35 g/mol
Exact Mass266.15
IUPAC Name1-(6-methyl-2-pyridinyl)-N-[2-[(6-methyl-2-pyridinyl)methylideneamino]ethyl]methanimine
SMILESCc1cccc(/C=N/CC/N=C/c2cccc(C)n2)n1
InChIInChI=1S/C16H18N4/c1-13-5-3-7-15(19-13)11-17-9-10-18-12-16-8-4-6-14(2)20-16/h3-8,11-12H,9-10H2,1-2H3/b17-11+,18-12+
InChIKeyNCCJTKNIPMUERV-JYFOCSDGSA-N
XLogP2.63
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(6-methyl-2-pyridinyl)-N-[2-[(6-methyl-2-pyridinyl)methylideneamino]ethyl]methanimine?
The IUPAC name of 1-(6-methyl-2-pyridinyl)-N-[2-[(6-methyl-2-pyridinyl)methylideneamino]ethyl]methanimine (CID 3018656) is 1-(6-methyl-2-pyridinyl)-N-[2-[(6-methyl-2-pyridinyl)methylideneamino]ethyl]methanimine.
What is the SMILES notation for 1-(6-methyl-2-pyridinyl)-N-[2-[(6-methyl-2-pyridinyl)methylideneamino]ethyl]methanimine?
The canonical SMILES for 1-(6-methyl-2-pyridinyl)-N-[2-[(6-methyl-2-pyridinyl)methylideneamino]ethyl]methanimine is Cc1cccc(/C=N/CC/N=C/c2cccc(C)n2)n1.
What is the InChIKey of 1-(6-methyl-2-pyridinyl)-N-[2-[(6-methyl-2-pyridinyl)methylideneamino]ethyl]methanimine?
The InChIKey is NCCJTKNIPMUERV-JYFOCSDGSA-N. The full InChI is InChI=1S/C16H18N4/c1-13-5-3-7-15(19-13)11-17-9-10-18-12-16-8-4-6-14(2)20-16/h3-8,11-12H,9-10H2,1-2H3/b17-11+,18-12+.
What are the key properties of 1-(6-methyl-2-pyridinyl)-N-[2-[(6-methyl-2-pyridinyl)methylideneamino]ethyl]methanimine?
1-(6-methyl-2-pyridinyl)-N-[2-[(6-methyl-2-pyridinyl)methylideneamino]ethyl]methanimine has a molecular weight of 266.35 g/mol, XLogP of 2.63, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methyl-2-pyridinyl)-N-[2-[(6-methyl-2-pyridinyl)methylideneamino]ethyl]methanimine is sourced from PubChem (CID 3018656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).