1-[8-(2-imino-4-methyl-1-pyridinyl)octyl]-4-methylpyridin-2-imine

C20H30N4 — CID 67645948

IUPAC1-[8-(2-imino-4-methyl-1-pyridinyl)octyl]-4-methylpyridin-2-imine
SMILES[H]/N=c1\cc(C)ccn1CCCCCCCCn1ccc(C)c/c1=N\[H]
InChIInChI=1S/C20H30N4/c1-17-9-13-23(19(21)15-17)11-7-5-3-4-6-8-12-24-14-10-18(2)16-20(24)22/h9-10,13-16,21-22H,3-8,11-12H2,1-2H3/b21-19+,22-20+
InChIKeyQANODTLTERCEJB-FLFKKZLDSA-N
MW326.49 g/mol
LogP3.91
Rot. Bonds9

About 1-[8-(2-imino-4-methyl-1-pyridinyl)octyl]-4-methylpyridin-2-imine

1-[8-(2-imino-4-methyl-1-pyridinyl)octyl]-4-methylpyridin-2-imine (PubChem CID 67645948) has the molecular formula C20H30N4 and a molecular weight of 326.49 g/mol. Its IUPAC name is 1-[8-(2-imino-4-methyl-1-pyridinyl)octyl]-4-methylpyridin-2-imine.

Molecular Properties

Compound Name1-[8-(2-imino-4-methyl-1-pyridinyl)octyl]-4-methylpyridin-2-imine
PubChem CID67645948
Molecular FormulaC20H30N4
Molecular Weight326.49 g/mol
Exact Mass326.25
IUPAC Name1-[8-(2-imino-4-methyl-1-pyridinyl)octyl]-4-methylpyridin-2-imine
SMILES[H]/N=c1\cc(C)ccn1CCCCCCCCn1ccc(C)c/c1=N\[H]
InChIInChI=1S/C20H30N4/c1-17-9-13-23(19(21)15-17)11-7-5-3-4-6-8-12-24-14-10-18(2)16-20(24)22/h9-10,13-16,21-22H,3-8,11-12H2,1-2H3/b21-19+,22-20+
InChIKeyQANODTLTERCEJB-FLFKKZLDSA-N
XLogP3.91
TPSA57.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.49
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[8-(2-imino-4-methyl-1-pyridinyl)octyl]-4-methylpyridin-2-imine?
The IUPAC name of 1-[8-(2-imino-4-methyl-1-pyridinyl)octyl]-4-methylpyridin-2-imine (CID 67645948) is 1-[8-(2-imino-4-methyl-1-pyridinyl)octyl]-4-methylpyridin-2-imine.
What is the SMILES notation for 1-[8-(2-imino-4-methyl-1-pyridinyl)octyl]-4-methylpyridin-2-imine?
The canonical SMILES for 1-[8-(2-imino-4-methyl-1-pyridinyl)octyl]-4-methylpyridin-2-imine is [H]/N=c1\cc(C)ccn1CCCCCCCCn1ccc(C)c/c1=N\[H].
What is the InChIKey of 1-[8-(2-imino-4-methyl-1-pyridinyl)octyl]-4-methylpyridin-2-imine?
The InChIKey is QANODTLTERCEJB-FLFKKZLDSA-N. The full InChI is InChI=1S/C20H30N4/c1-17-9-13-23(19(21)15-17)11-7-5-3-4-6-8-12-24-14-10-18(2)16-20(24)22/h9-10,13-16,21-22H,3-8,11-12H2,1-2H3/b21-19+,22-20+.
What are the key properties of 1-[8-(2-imino-4-methyl-1-pyridinyl)octyl]-4-methylpyridin-2-imine?
1-[8-(2-imino-4-methyl-1-pyridinyl)octyl]-4-methylpyridin-2-imine has a molecular weight of 326.49 g/mol, XLogP of 3.91, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[8-(2-imino-4-methyl-1-pyridinyl)octyl]-4-methylpyridin-2-imine is sourced from PubChem (CID 67645948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).