1-methyl-2-azoniabicyclo[2.2.1]heptane bromide

C7H14BrN — CID 69262239

IUPAC1-methyl-2-azoniabicyclo[2.2.1]heptane bromide
SMILESCC12CCC(C[NH2+]1)C2.[Br-]
InChIInChI=1S/C7H13N.BrH/c1-7-3-2-6(4-7)5-8-7;/h6,8H,2-5H2,1H3;1H
InChIKeyAMCBGASAMLRJTF-UHFFFAOYSA-N
MW192.10 g/mol
LogP-2.87
Rot. Bonds

About 1-methyl-2-azoniabicyclo[2.2.1]heptane bromide

1-methyl-2-azoniabicyclo[2.2.1]heptane bromide (PubChem CID 69262239) has the molecular formula C7H14BrN and a molecular weight of 192.10 g/mol. Its IUPAC name is 1-methyl-2-azoniabicyclo[2.2.1]heptane bromide.

Molecular Properties

Compound Name1-methyl-2-azoniabicyclo[2.2.1]heptane bromide
PubChem CID69262239
Molecular FormulaC7H14BrN
Molecular Weight192.10 g/mol
Exact Mass191.03
IUPAC Name1-methyl-2-azoniabicyclo[2.2.1]heptane bromide
SMILESCC12CCC(C[NH2+]1)C2.[Br-]
InChIInChI=1S/C7H13N.BrH/c1-7-3-2-6(4-7)5-8-7;/h6,8H,2-5H2,1H3;1H
InChIKeyAMCBGASAMLRJTF-UHFFFAOYSA-N
XLogP-2.87
TPSA16.61 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.10
LogP ≤ 5-2.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-azoniabicyclo[2.2.1]heptane bromide?
The IUPAC name of 1-methyl-2-azoniabicyclo[2.2.1]heptane bromide (CID 69262239) is 1-methyl-2-azoniabicyclo[2.2.1]heptane bromide.
What is the SMILES notation for 1-methyl-2-azoniabicyclo[2.2.1]heptane bromide?
The canonical SMILES for 1-methyl-2-azoniabicyclo[2.2.1]heptane bromide is CC12CCC(C[NH2+]1)C2.[Br-].
What is the InChIKey of 1-methyl-2-azoniabicyclo[2.2.1]heptane bromide?
The InChIKey is AMCBGASAMLRJTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N.BrH/c1-7-3-2-6(4-7)5-8-7;/h6,8H,2-5H2,1H3;1H.
What are the key properties of 1-methyl-2-azoniabicyclo[2.2.1]heptane bromide?
1-methyl-2-azoniabicyclo[2.2.1]heptane bromide has a molecular weight of 192.10 g/mol, XLogP of -2.87, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-azoniabicyclo[2.2.1]heptane bromide is sourced from PubChem (CID 69262239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).