(1S,4S)-2-methyl-2,5-diazabicyclo[2.2.1]heptane;dihydrobromide

C6H14Br2N2 — CID 15629279

IUPAC(1S,4S)-2-methyl-2,5-diazabicyclo[2.2.1]heptane;dihydrobromide
SMILESBr.Br.CN1C[C@@H]2C[C@H]1CN2
InChIInChI=1S/C6H12N2.2BrH/c1-8-4-5-2-6(8)3-7-5;;/h5-7H,2-4H2,1H3;2*1H/t5-,6-;;/m0../s1
InChIKeyWLUAJCSMROZCDP-USPAICOZSA-N
MW274.00 g/mol
LogP0.82
Rot. Bonds

About (1S,4S)-2-methyl-2,5-diazabicyclo[2.2.1]heptane;dihydrobromide

(1S,4S)-2-methyl-2,5-diazabicyclo[2.2.1]heptane;dihydrobromide (PubChem CID 15629279) has the molecular formula C6H14Br2N2 and a molecular weight of 274.00 g/mol. Its IUPAC name is (1S,4S)-2-methyl-2,5-diazabicyclo[2.2.1]heptane;dihydrobromide.

Molecular Properties

Compound Name(1S,4S)-2-methyl-2,5-diazabicyclo[2.2.1]heptane;dihydrobromide
PubChem CID15629279
Molecular FormulaC6H14Br2N2
Molecular Weight274.00 g/mol
Exact Mass271.95
IUPAC Name(1S,4S)-2-methyl-2,5-diazabicyclo[2.2.1]heptane;dihydrobromide
SMILESBr.Br.CN1C[C@@H]2C[C@H]1CN2
InChIInChI=1S/C6H12N2.2BrH/c1-8-4-5-2-6(8)3-7-5;;/h5-7H,2-4H2,1H3;2*1H/t5-,6-;;/m0../s1
InChIKeyWLUAJCSMROZCDP-USPAICOZSA-N
XLogP0.82
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.00
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,4S)-2-methyl-2,5-diazabicyclo[2.2.1]heptane;dihydrobromide?
The IUPAC name of (1S,4S)-2-methyl-2,5-diazabicyclo[2.2.1]heptane;dihydrobromide (CID 15629279) is (1S,4S)-2-methyl-2,5-diazabicyclo[2.2.1]heptane;dihydrobromide.
What is the SMILES notation for (1S,4S)-2-methyl-2,5-diazabicyclo[2.2.1]heptane;dihydrobromide?
The canonical SMILES for (1S,4S)-2-methyl-2,5-diazabicyclo[2.2.1]heptane;dihydrobromide is Br.Br.CN1C[C@@H]2C[C@H]1CN2.
What is the InChIKey of (1S,4S)-2-methyl-2,5-diazabicyclo[2.2.1]heptane;dihydrobromide?
The InChIKey is WLUAJCSMROZCDP-USPAICOZSA-N. The full InChI is InChI=1S/C6H12N2.2BrH/c1-8-4-5-2-6(8)3-7-5;;/h5-7H,2-4H2,1H3;2*1H/t5-,6-;;/m0../s1.
What are the key properties of (1S,4S)-2-methyl-2,5-diazabicyclo[2.2.1]heptane;dihydrobromide?
(1S,4S)-2-methyl-2,5-diazabicyclo[2.2.1]heptane;dihydrobromide has a molecular weight of 274.00 g/mol, XLogP of 0.82, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4S)-2-methyl-2,5-diazabicyclo[2.2.1]heptane;dihydrobromide is sourced from PubChem (CID 15629279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).