1-[6-(4-imino-1-pyridinyl)hexyl]pyridin-4-imine;dihydrobromide

C16H24Br2N4 — CID 13408445

IUPAC1-[6-(4-imino-1-pyridinyl)hexyl]pyridin-4-imine;dihydrobromide
SMILESBr.Br.[H]N=c1ccn(CCCCCCn2ccc(=N[H])cc2)cc1
InChIInChI=1S/C16H22N4.2BrH/c17-15-5-11-19(12-6-15)9-3-1-2-4-10-20-13-7-16(18)8-14-20;;/h5-8,11-14,17-18H,1-4,9-10H2;2*1H
InChIKeyBIOZKVKRBNJIHL-UHFFFAOYSA-N
MW432.20 g/mol
LogP3.66
Rot. Bonds7

About 1-[6-(4-imino-1-pyridinyl)hexyl]pyridin-4-imine;dihydrobromide

1-[6-(4-imino-1-pyridinyl)hexyl]pyridin-4-imine;dihydrobromide (PubChem CID 13408445) has the molecular formula C16H24Br2N4 and a molecular weight of 432.20 g/mol. Its IUPAC name is 1-[6-(4-imino-1-pyridinyl)hexyl]pyridin-4-imine;dihydrobromide.

Molecular Properties

Compound Name1-[6-(4-imino-1-pyridinyl)hexyl]pyridin-4-imine;dihydrobromide
PubChem CID13408445
Molecular FormulaC16H24Br2N4
Molecular Weight432.20 g/mol
Exact Mass430.04
IUPAC Name1-[6-(4-imino-1-pyridinyl)hexyl]pyridin-4-imine;dihydrobromide
SMILESBr.Br.[H]N=c1ccn(CCCCCCn2ccc(=N[H])cc2)cc1
InChIInChI=1S/C16H22N4.2BrH/c17-15-5-11-19(12-6-15)9-3-1-2-4-10-20-13-7-16(18)8-14-20;;/h5-8,11-14,17-18H,1-4,9-10H2;2*1H
InChIKeyBIOZKVKRBNJIHL-UHFFFAOYSA-N
XLogP3.66
TPSA57.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.20
LogP ≤ 53.66
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-(4-imino-1-pyridinyl)hexyl]pyridin-4-imine;dihydrobromide?
The IUPAC name of 1-[6-(4-imino-1-pyridinyl)hexyl]pyridin-4-imine;dihydrobromide (CID 13408445) is 1-[6-(4-imino-1-pyridinyl)hexyl]pyridin-4-imine;dihydrobromide.
What is the SMILES notation for 1-[6-(4-imino-1-pyridinyl)hexyl]pyridin-4-imine;dihydrobromide?
The canonical SMILES for 1-[6-(4-imino-1-pyridinyl)hexyl]pyridin-4-imine;dihydrobromide is Br.Br.[H]N=c1ccn(CCCCCCn2ccc(=N[H])cc2)cc1.
What is the InChIKey of 1-[6-(4-imino-1-pyridinyl)hexyl]pyridin-4-imine;dihydrobromide?
The InChIKey is BIOZKVKRBNJIHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4.2BrH/c17-15-5-11-19(12-6-15)9-3-1-2-4-10-20-13-7-16(18)8-14-20;;/h5-8,11-14,17-18H,1-4,9-10H2;2*1H.
What are the key properties of 1-[6-(4-imino-1-pyridinyl)hexyl]pyridin-4-imine;dihydrobromide?
1-[6-(4-imino-1-pyridinyl)hexyl]pyridin-4-imine;dihydrobromide has a molecular weight of 432.20 g/mol, XLogP of 3.66, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(4-imino-1-pyridinyl)hexyl]pyridin-4-imine;dihydrobromide is sourced from PubChem (CID 13408445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).