1-[10-(4-imino-1-pyridinyl)decyl]pyridin-4-imine;dihydrobromide

C20H32Br2N4 — CID 13408451

IUPAC1-[10-(4-imino-1-pyridinyl)decyl]pyridin-4-imine;dihydrobromide
SMILESBr.Br.[H]N=c1ccn(CCCCCCCCCCn2ccc(=N[H])cc2)cc1
InChIInChI=1S/C20H30N4.2BrH/c21-19-9-15-23(16-10-19)13-7-5-3-1-2-4-6-8-14-24-17-11-20(22)12-18-24;;/h9-12,15-18,21-22H,1-8,13-14H2;2*1H
InChIKeyLHSXUXHBJAVVBD-UHFFFAOYSA-N
MW488.31 g/mol
LogP5.23
Rot. Bonds11

About 1-[10-(4-imino-1-pyridinyl)decyl]pyridin-4-imine;dihydrobromide

1-[10-(4-imino-1-pyridinyl)decyl]pyridin-4-imine;dihydrobromide (PubChem CID 13408451) has the molecular formula C20H32Br2N4 and a molecular weight of 488.31 g/mol. Its IUPAC name is 1-[10-(4-imino-1-pyridinyl)decyl]pyridin-4-imine;dihydrobromide.

Molecular Properties

Compound Name1-[10-(4-imino-1-pyridinyl)decyl]pyridin-4-imine;dihydrobromide
PubChem CID13408451
Molecular FormulaC20H32Br2N4
Molecular Weight488.31 g/mol
Exact Mass486.10
IUPAC Name1-[10-(4-imino-1-pyridinyl)decyl]pyridin-4-imine;dihydrobromide
SMILESBr.Br.[H]N=c1ccn(CCCCCCCCCCn2ccc(=N[H])cc2)cc1
InChIInChI=1S/C20H30N4.2BrH/c21-19-9-15-23(16-10-19)13-7-5-3-1-2-4-6-8-14-24-17-11-20(22)12-18-24;;/h9-12,15-18,21-22H,1-8,13-14H2;2*1H
InChIKeyLHSXUXHBJAVVBD-UHFFFAOYSA-N
XLogP5.23
TPSA57.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.31
LogP ≤ 55.23
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-[10-(4-imino-1-pyridinyl)decyl]pyridin-4-imine;dihydrobromide?
The IUPAC name of 1-[10-(4-imino-1-pyridinyl)decyl]pyridin-4-imine;dihydrobromide (CID 13408451) is 1-[10-(4-imino-1-pyridinyl)decyl]pyridin-4-imine;dihydrobromide.
What is the SMILES notation for 1-[10-(4-imino-1-pyridinyl)decyl]pyridin-4-imine;dihydrobromide?
The canonical SMILES for 1-[10-(4-imino-1-pyridinyl)decyl]pyridin-4-imine;dihydrobromide is Br.Br.[H]N=c1ccn(CCCCCCCCCCn2ccc(=N[H])cc2)cc1.
What is the InChIKey of 1-[10-(4-imino-1-pyridinyl)decyl]pyridin-4-imine;dihydrobromide?
The InChIKey is LHSXUXHBJAVVBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4.2BrH/c21-19-9-15-23(16-10-19)13-7-5-3-1-2-4-6-8-14-24-17-11-20(22)12-18-24;;/h9-12,15-18,21-22H,1-8,13-14H2;2*1H.
What are the key properties of 1-[10-(4-imino-1-pyridinyl)decyl]pyridin-4-imine;dihydrobromide?
1-[10-(4-imino-1-pyridinyl)decyl]pyridin-4-imine;dihydrobromide has a molecular weight of 488.31 g/mol, XLogP of 5.23, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[10-(4-imino-1-pyridinyl)decyl]pyridin-4-imine;dihydrobromide is sourced from PubChem (CID 13408451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).