1-[6-(2-imino-4-methyl-1-pyridinyl)hexyl]-4-methylpyridin-2-imine

C18H26N4 — CID 18940799

IUPAC1-[6-(2-imino-4-methyl-1-pyridinyl)hexyl]-4-methylpyridin-2-imine
SMILES[H]/N=c1\cc(C)ccn1CCCCCCn1ccc(C)c/c1=N\[H]
InChIInChI=1S/C18H26N4/c1-15-7-11-21(17(19)13-15)9-5-3-4-6-10-22-12-8-16(2)14-18(22)20/h7-8,11-14,19-20H,3-6,9-10H2,1-2H3/b19-17+,20-18+
InChIKeyCNGBRPAGTNORTM-XPWSMXQVSA-N
MW298.43 g/mol
LogP3.13
Rot. Bonds7

About 1-[6-(2-imino-4-methyl-1-pyridinyl)hexyl]-4-methylpyridin-2-imine

1-[6-(2-imino-4-methyl-1-pyridinyl)hexyl]-4-methylpyridin-2-imine (PubChem CID 18940799) has the molecular formula C18H26N4 and a molecular weight of 298.43 g/mol. Its IUPAC name is 1-[6-(2-imino-4-methyl-1-pyridinyl)hexyl]-4-methylpyridin-2-imine.

Molecular Properties

Compound Name1-[6-(2-imino-4-methyl-1-pyridinyl)hexyl]-4-methylpyridin-2-imine
PubChem CID18940799
Molecular FormulaC18H26N4
Molecular Weight298.43 g/mol
Exact Mass298.22
IUPAC Name1-[6-(2-imino-4-methyl-1-pyridinyl)hexyl]-4-methylpyridin-2-imine
SMILES[H]/N=c1\cc(C)ccn1CCCCCCn1ccc(C)c/c1=N\[H]
InChIInChI=1S/C18H26N4/c1-15-7-11-21(17(19)13-15)9-5-3-4-6-10-22-12-8-16(2)14-18(22)20/h7-8,11-14,19-20H,3-6,9-10H2,1-2H3/b19-17+,20-18+
InChIKeyCNGBRPAGTNORTM-XPWSMXQVSA-N
XLogP3.13
TPSA57.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 53.13
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-[6-(2-imino-4-methyl-1-pyridinyl)hexyl]-4-methylpyridin-2-imine?
The IUPAC name of 1-[6-(2-imino-4-methyl-1-pyridinyl)hexyl]-4-methylpyridin-2-imine (CID 18940799) is 1-[6-(2-imino-4-methyl-1-pyridinyl)hexyl]-4-methylpyridin-2-imine.
What is the SMILES notation for 1-[6-(2-imino-4-methyl-1-pyridinyl)hexyl]-4-methylpyridin-2-imine?
The canonical SMILES for 1-[6-(2-imino-4-methyl-1-pyridinyl)hexyl]-4-methylpyridin-2-imine is [H]/N=c1\cc(C)ccn1CCCCCCn1ccc(C)c/c1=N\[H].
What is the InChIKey of 1-[6-(2-imino-4-methyl-1-pyridinyl)hexyl]-4-methylpyridin-2-imine?
The InChIKey is CNGBRPAGTNORTM-XPWSMXQVSA-N. The full InChI is InChI=1S/C18H26N4/c1-15-7-11-21(17(19)13-15)9-5-3-4-6-10-22-12-8-16(2)14-18(22)20/h7-8,11-14,19-20H,3-6,9-10H2,1-2H3/b19-17+,20-18+.
What are the key properties of 1-[6-(2-imino-4-methyl-1-pyridinyl)hexyl]-4-methylpyridin-2-imine?
1-[6-(2-imino-4-methyl-1-pyridinyl)hexyl]-4-methylpyridin-2-imine has a molecular weight of 298.43 g/mol, XLogP of 3.13, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(2-imino-4-methyl-1-pyridinyl)hexyl]-4-methylpyridin-2-imine is sourced from PubChem (CID 18940799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).