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

C6H13BrN2 — CID 66776606

IUPAC(1S,4S)-2-methyl-2,5-diazabicyclo[2.2.1]heptane;hydrobromide
SMILESBr.CN1C[C@@H]2C[C@H]1CN2
InChIInChI=1S/C6H12N2.BrH/c1-8-4-5-2-6(8)3-7-5;/h5-7H,2-4H2,1H3;1H/t5-,6-;/m0./s1
InChIKeyKSHGGRGZBKHXTJ-GEMLJDPKSA-N
MW193.09 g/mol
LogP0.24
Rot. Bonds

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

(1S,4S)-2-methyl-2,5-diazabicyclo[2.2.1]heptane;hydrobromide (PubChem CID 66776606) has the molecular formula C6H13BrN2 and a molecular weight of 193.09 g/mol. Its IUPAC name is (1S,4S)-2-methyl-2,5-diazabicyclo[2.2.1]heptane;hydrobromide.

Molecular Properties

Compound Name(1S,4S)-2-methyl-2,5-diazabicyclo[2.2.1]heptane;hydrobromide
PubChem CID66776606
Molecular FormulaC6H13BrN2
Molecular Weight193.09 g/mol
Exact Mass192.03
IUPAC Name(1S,4S)-2-methyl-2,5-diazabicyclo[2.2.1]heptane;hydrobromide
SMILESBr.CN1C[C@@H]2C[C@H]1CN2
InChIInChI=1S/C6H12N2.BrH/c1-8-4-5-2-6(8)3-7-5;/h5-7H,2-4H2,1H3;1H/t5-,6-;/m0./s1
InChIKeyKSHGGRGZBKHXTJ-GEMLJDPKSA-N
XLogP0.24
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.09
LogP ≤ 50.24
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;hydrobromide?
The IUPAC name of (1S,4S)-2-methyl-2,5-diazabicyclo[2.2.1]heptane;hydrobromide (CID 66776606) is (1S,4S)-2-methyl-2,5-diazabicyclo[2.2.1]heptane;hydrobromide.
What is the SMILES notation for (1S,4S)-2-methyl-2,5-diazabicyclo[2.2.1]heptane;hydrobromide?
The canonical SMILES for (1S,4S)-2-methyl-2,5-diazabicyclo[2.2.1]heptane;hydrobromide is Br.CN1C[C@@H]2C[C@H]1CN2.
What is the InChIKey of (1S,4S)-2-methyl-2,5-diazabicyclo[2.2.1]heptane;hydrobromide?
The InChIKey is KSHGGRGZBKHXTJ-GEMLJDPKSA-N. The full InChI is InChI=1S/C6H12N2.BrH/c1-8-4-5-2-6(8)3-7-5;/h5-7H,2-4H2,1H3;1H/t5-,6-;/m0./s1.
What are the key properties of (1S,4S)-2-methyl-2,5-diazabicyclo[2.2.1]heptane;hydrobromide?
(1S,4S)-2-methyl-2,5-diazabicyclo[2.2.1]heptane;hydrobromide has a molecular weight of 193.09 g/mol, XLogP of 0.24, 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;hydrobromide is sourced from PubChem (CID 66776606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).