1-[8-(2-imino-5-methyl-1-pyridinyl)octyl]-5-methylpyridin-2-imine

C20H30N4 — CID 18940789

IUPAC1-[8-(2-imino-5-methyl-1-pyridinyl)octyl]-5-methylpyridin-2-imine
SMILES[H]/N=c1\ccc(C)cn1CCCCCCCCn1cc(C)cc/c1=N\[H]
InChIInChI=1S/C20H30N4/c1-17-9-11-19(21)23(15-17)13-7-5-3-4-6-8-14-24-16-18(2)10-12-20(24)22/h9-12,15-16,21-22H,3-8,13-14H2,1-2H3/b21-19+,22-20+
InChIKeyRJQHFSXOBGFNSE-FLFKKZLDSA-N
MW326.49 g/mol
LogP3.91
Rot. Bonds9

About 1-[8-(2-imino-5-methyl-1-pyridinyl)octyl]-5-methylpyridin-2-imine

1-[8-(2-imino-5-methyl-1-pyridinyl)octyl]-5-methylpyridin-2-imine (PubChem CID 18940789) has the molecular formula C20H30N4 and a molecular weight of 326.49 g/mol. Its IUPAC name is 1-[8-(2-imino-5-methyl-1-pyridinyl)octyl]-5-methylpyridin-2-imine.

Molecular Properties

Compound Name1-[8-(2-imino-5-methyl-1-pyridinyl)octyl]-5-methylpyridin-2-imine
PubChem CID18940789
Molecular FormulaC20H30N4
Molecular Weight326.49 g/mol
Exact Mass326.25
IUPAC Name1-[8-(2-imino-5-methyl-1-pyridinyl)octyl]-5-methylpyridin-2-imine
SMILES[H]/N=c1\ccc(C)cn1CCCCCCCCn1cc(C)cc/c1=N\[H]
InChIInChI=1S/C20H30N4/c1-17-9-11-19(21)23(15-17)13-7-5-3-4-6-8-14-24-16-18(2)10-12-20(24)22/h9-12,15-16,21-22H,3-8,13-14H2,1-2H3/b21-19+,22-20+
InChIKeyRJQHFSXOBGFNSE-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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Related Compounds

1-[12-(2-Imino-4-methyl-1-pyridinyl)dodecyl]-4-methylpyridin-2-imine;dihydrobromide
CID 9937250
1-[12-(2-Imino-3-methyl-1-pyridinyl)dodecyl]-3-methylpyridin-2-imine;dihydrobromide
CID 67645625
1-[12-(2-Imino-5-methyl-1-pyridinyl)dodecyl]-5-methylpyridin-2-imine;dihydrobromide
CID 67646004
1-[12-(6-Imino-2,3-dimethyl-1-pyridinyl)dodecyl]-5,6-dimethylpyridin-2-imine
CID 18940786
1-[12-(2-Imino-4,5-dimethyl-1-pyridinyl)dodecyl]-4,5-dimethylpyridin-2-imine
CID 18940787
1-[12-(2-Imino-3,4-dimethyl-1-pyridinyl)dodecyl]-3,4-dimethylpyridin-2-imine
CID 18940791
1-[12-(2-Imino-3,5-dimethyl-1-pyridinyl)dodecyl]-3,5-dimethylpyridin-2-imine
CID 18940793
4-Ethyl-1-[12-(4-ethyl-2-imino-1-pyridinyl)dodecyl]pyridin-2-imine
CID 18940794
3-Ethyl-1-[12-(3-ethyl-2-imino-1-pyridinyl)dodecyl]pyridin-2-imine
CID 18940798
5-Ethyl-1-[12-(5-ethyl-2-imino-1-pyridinyl)dodecyl]pyridin-2-imine
CID 18940800
6-Ethyl-1-[12-(2-ethyl-6-imino-1-pyridinyl)dodecyl]pyridin-2-imine
CID 18940805
1-[12-(2-Imino-4,6-dimethyl-1-pyridinyl)dodecyl]-4,6-dimethylpyridin-2-imine
CID 18940806

Frequently Asked Questions

What is the IUPAC name of 1-[8-(2-imino-5-methyl-1-pyridinyl)octyl]-5-methylpyridin-2-imine?
The IUPAC name of 1-[8-(2-imino-5-methyl-1-pyridinyl)octyl]-5-methylpyridin-2-imine (CID 18940789) is 1-[8-(2-imino-5-methyl-1-pyridinyl)octyl]-5-methylpyridin-2-imine.
What is the SMILES notation for 1-[8-(2-imino-5-methyl-1-pyridinyl)octyl]-5-methylpyridin-2-imine?
The canonical SMILES for 1-[8-(2-imino-5-methyl-1-pyridinyl)octyl]-5-methylpyridin-2-imine is [H]/N=c1\ccc(C)cn1CCCCCCCCn1cc(C)cc/c1=N\[H].
What is the InChIKey of 1-[8-(2-imino-5-methyl-1-pyridinyl)octyl]-5-methylpyridin-2-imine?
The InChIKey is RJQHFSXOBGFNSE-FLFKKZLDSA-N. The full InChI is InChI=1S/C20H30N4/c1-17-9-11-19(21)23(15-17)13-7-5-3-4-6-8-14-24-16-18(2)10-12-20(24)22/h9-12,15-16,21-22H,3-8,13-14H2,1-2H3/b21-19+,22-20+.
What are the key properties of 1-[8-(2-imino-5-methyl-1-pyridinyl)octyl]-5-methylpyridin-2-imine?
1-[8-(2-imino-5-methyl-1-pyridinyl)octyl]-5-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-5-methyl-1-pyridinyl)octyl]-5-methylpyridin-2-imine is sourced from PubChem (CID 18940789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).