1-[8-(4-imino-1-pyridinyl)octyl]pyridin-4-imine;dihydrobromide

C18H28Br2N4 — CID 13408447

IUPAC1-[8-(4-imino-1-pyridinyl)octyl]pyridin-4-imine;dihydrobromide
SMILESBr.Br.[H]N=c1ccn(CCCCCCCCn2ccc(=N[H])cc2)cc1
InChIInChI=1S/C18H26N4.2BrH/c19-17-7-13-21(14-8-17)11-5-3-1-2-4-6-12-22-15-9-18(20)10-16-22;;/h7-10,13-16,19-20H,1-6,11-12H2;2*1H
InChIKeySLULMDWNRXSYKQ-UHFFFAOYSA-N
MW460.26 g/mol
LogP4.45
Rot. Bonds9

About 1-[8-(4-imino-1-pyridinyl)octyl]pyridin-4-imine;dihydrobromide

1-[8-(4-imino-1-pyridinyl)octyl]pyridin-4-imine;dihydrobromide (PubChem CID 13408447) has the molecular formula C18H28Br2N4 and a molecular weight of 460.26 g/mol. Its IUPAC name is 1-[8-(4-imino-1-pyridinyl)octyl]pyridin-4-imine;dihydrobromide.

Molecular Properties

Compound Name1-[8-(4-imino-1-pyridinyl)octyl]pyridin-4-imine;dihydrobromide
PubChem CID13408447
Molecular FormulaC18H28Br2N4
Molecular Weight460.26 g/mol
Exact Mass458.07
IUPAC Name1-[8-(4-imino-1-pyridinyl)octyl]pyridin-4-imine;dihydrobromide
SMILESBr.Br.[H]N=c1ccn(CCCCCCCCn2ccc(=N[H])cc2)cc1
InChIInChI=1S/C18H26N4.2BrH/c19-17-7-13-21(14-8-17)11-5-3-1-2-4-6-12-22-15-9-18(20)10-16-22;;/h7-10,13-16,19-20H,1-6,11-12H2;2*1H
InChIKeySLULMDWNRXSYKQ-UHFFFAOYSA-N
XLogP4.45
TPSA57.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.26
LogP ≤ 54.45
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-(4-imino-1-pyridinyl)octyl]pyridin-4-imine;dihydrobromide?
The IUPAC name of 1-[8-(4-imino-1-pyridinyl)octyl]pyridin-4-imine;dihydrobromide (CID 13408447) is 1-[8-(4-imino-1-pyridinyl)octyl]pyridin-4-imine;dihydrobromide.
What is the SMILES notation for 1-[8-(4-imino-1-pyridinyl)octyl]pyridin-4-imine;dihydrobromide?
The canonical SMILES for 1-[8-(4-imino-1-pyridinyl)octyl]pyridin-4-imine;dihydrobromide is Br.Br.[H]N=c1ccn(CCCCCCCCn2ccc(=N[H])cc2)cc1.
What is the InChIKey of 1-[8-(4-imino-1-pyridinyl)octyl]pyridin-4-imine;dihydrobromide?
The InChIKey is SLULMDWNRXSYKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4.2BrH/c19-17-7-13-21(14-8-17)11-5-3-1-2-4-6-12-22-15-9-18(20)10-16-22;;/h7-10,13-16,19-20H,1-6,11-12H2;2*1H.
What are the key properties of 1-[8-(4-imino-1-pyridinyl)octyl]pyridin-4-imine;dihydrobromide?
1-[8-(4-imino-1-pyridinyl)octyl]pyridin-4-imine;dihydrobromide has a molecular weight of 460.26 g/mol, XLogP of 4.45, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[8-(4-imino-1-pyridinyl)octyl]pyridin-4-imine;dihydrobromide is sourced from PubChem (CID 13408447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).