2,3,4,5-tetrahydropyridine-4,6-diamine;dihydrobromide

C5H13Br2N3 — CID 18428539

IUPAC2,3,4,5-tetrahydropyridine-4,6-diamine;dihydrobromide
SMILESBr.Br.NC1=NCCC(N)C1
InChIInChI=1S/C5H11N3.2BrH/c6-4-1-2-8-5(7)3-4;;/h4H,1-3,6H2,(H2,7,8);2*1H
InChIKeyMHQRECKUEFPRSA-UHFFFAOYSA-N
MW274.99 g/mol
LogP0.62
Rot. Bonds

About 2,3,4,5-tetrahydropyridine-4,6-diamine;dihydrobromide

2,3,4,5-tetrahydropyridine-4,6-diamine;dihydrobromide (PubChem CID 18428539) has the molecular formula C5H13Br2N3 and a molecular weight of 274.99 g/mol. Its IUPAC name is 2,3,4,5-tetrahydropyridine-4,6-diamine;dihydrobromide.

Molecular Properties

Compound Name2,3,4,5-tetrahydropyridine-4,6-diamine;dihydrobromide
PubChem CID18428539
Molecular FormulaC5H13Br2N3
Molecular Weight274.99 g/mol
Exact Mass272.95
IUPAC Name2,3,4,5-tetrahydropyridine-4,6-diamine;dihydrobromide
SMILESBr.Br.NC1=NCCC(N)C1
InChIInChI=1S/C5H11N3.2BrH/c6-4-1-2-8-5(7)3-4;;/h4H,1-3,6H2,(H2,7,8);2*1H
InChIKeyMHQRECKUEFPRSA-UHFFFAOYSA-N
XLogP0.62
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.99
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,5-tetrahydropyridine-4,6-diamine;dihydrobromide?
The IUPAC name of 2,3,4,5-tetrahydropyridine-4,6-diamine;dihydrobromide (CID 18428539) is 2,3,4,5-tetrahydropyridine-4,6-diamine;dihydrobromide.
What is the SMILES notation for 2,3,4,5-tetrahydropyridine-4,6-diamine;dihydrobromide?
The canonical SMILES for 2,3,4,5-tetrahydropyridine-4,6-diamine;dihydrobromide is Br.Br.NC1=NCCC(N)C1.
What is the InChIKey of 2,3,4,5-tetrahydropyridine-4,6-diamine;dihydrobromide?
The InChIKey is MHQRECKUEFPRSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N3.2BrH/c6-4-1-2-8-5(7)3-4;;/h4H,1-3,6H2,(H2,7,8);2*1H.
What are the key properties of 2,3,4,5-tetrahydropyridine-4,6-diamine;dihydrobromide?
2,3,4,5-tetrahydropyridine-4,6-diamine;dihydrobromide has a molecular weight of 274.99 g/mol, XLogP of 0.62, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5-tetrahydropyridine-4,6-diamine;dihydrobromide is sourced from PubChem (CID 18428539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).