1-[9-(4-imino-1-pyridinyl)nonyl]pyridin-4-imine;dihydrobromide

C19H30Br2N4 — CID 13408449

IUPAC1-[9-(4-imino-1-pyridinyl)nonyl]pyridin-4-imine;dihydrobromide
SMILESBr.Br.[H]N=c1ccn(CCCCCCCCCn2ccc(=N[H])cc2)cc1
InChIInChI=1S/C19H28N4.2BrH/c20-18-8-14-22(15-9-18)12-6-4-2-1-3-5-7-13-23-16-10-19(21)11-17-23;;/h8-11,14-17,20-21H,1-7,12-13H2;2*1H
InChIKeyCXJTYJGMXQPLRX-UHFFFAOYSA-N
MW474.29 g/mol
LogP4.84
Rot. Bonds10

About 1-[9-(4-imino-1-pyridinyl)nonyl]pyridin-4-imine;dihydrobromide

1-[9-(4-imino-1-pyridinyl)nonyl]pyridin-4-imine;dihydrobromide (PubChem CID 13408449) has the molecular formula C19H30Br2N4 and a molecular weight of 474.29 g/mol. Its IUPAC name is 1-[9-(4-imino-1-pyridinyl)nonyl]pyridin-4-imine;dihydrobromide.

Molecular Properties

Compound Name1-[9-(4-imino-1-pyridinyl)nonyl]pyridin-4-imine;dihydrobromide
PubChem CID13408449
Molecular FormulaC19H30Br2N4
Molecular Weight474.29 g/mol
Exact Mass472.08
IUPAC Name1-[9-(4-imino-1-pyridinyl)nonyl]pyridin-4-imine;dihydrobromide
SMILESBr.Br.[H]N=c1ccn(CCCCCCCCCn2ccc(=N[H])cc2)cc1
InChIInChI=1S/C19H28N4.2BrH/c20-18-8-14-22(15-9-18)12-6-4-2-1-3-5-7-13-23-16-10-19(21)11-17-23;;/h8-11,14-17,20-21H,1-7,12-13H2;2*1H
InChIKeyCXJTYJGMXQPLRX-UHFFFAOYSA-N
XLogP4.84
TPSA57.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.29
LogP ≤ 54.84
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-[9-(4-imino-1-pyridinyl)nonyl]pyridin-4-imine;dihydrobromide?
The IUPAC name of 1-[9-(4-imino-1-pyridinyl)nonyl]pyridin-4-imine;dihydrobromide (CID 13408449) is 1-[9-(4-imino-1-pyridinyl)nonyl]pyridin-4-imine;dihydrobromide.
What is the SMILES notation for 1-[9-(4-imino-1-pyridinyl)nonyl]pyridin-4-imine;dihydrobromide?
The canonical SMILES for 1-[9-(4-imino-1-pyridinyl)nonyl]pyridin-4-imine;dihydrobromide is Br.Br.[H]N=c1ccn(CCCCCCCCCn2ccc(=N[H])cc2)cc1.
What is the InChIKey of 1-[9-(4-imino-1-pyridinyl)nonyl]pyridin-4-imine;dihydrobromide?
The InChIKey is CXJTYJGMXQPLRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4.2BrH/c20-18-8-14-22(15-9-18)12-6-4-2-1-3-5-7-13-23-16-10-19(21)11-17-23;;/h8-11,14-17,20-21H,1-7,12-13H2;2*1H.
What are the key properties of 1-[9-(4-imino-1-pyridinyl)nonyl]pyridin-4-imine;dihydrobromide?
1-[9-(4-imino-1-pyridinyl)nonyl]pyridin-4-imine;dihydrobromide has a molecular weight of 474.29 g/mol, XLogP of 4.84, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[9-(4-imino-1-pyridinyl)nonyl]pyridin-4-imine;dihydrobromide is sourced from PubChem (CID 13408449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).