[(1R,7R)-1-bromo-3-azabicyclo[5.1.0]octan-7-yl]methanamine

C8H15BrN2 — CID 162367515

IUPAC[(1R,7R)-1-bromo-3-azabicyclo[5.1.0]octan-7-yl]methanamine
SMILESNC[C@]12CCCNC[C@@]1(Br)C2
InChIInChI=1S/C8H15BrN2/c9-8-4-7(8,5-10)2-1-3-11-6-8/h11H,1-6,10H2/t7-,8+/m1/s1
InChIKeyRXAPFXBPBLPWIL-SFYZADRCSA-N
MW219.13 g/mol
LogP0.85
Rot. Bonds1

About [(1R,7R)-1-bromo-3-azabicyclo[5.1.0]octan-7-yl]methanamine

[(1R,7R)-1-bromo-3-azabicyclo[5.1.0]octan-7-yl]methanamine (PubChem CID 162367515) has the molecular formula C8H15BrN2 and a molecular weight of 219.13 g/mol. Its IUPAC name is [(1R,7R)-1-bromo-3-azabicyclo[5.1.0]octan-7-yl]methanamine.

Molecular Properties

Compound Name[(1R,7R)-1-bromo-3-azabicyclo[5.1.0]octan-7-yl]methanamine
PubChem CID162367515
Molecular FormulaC8H15BrN2
Molecular Weight219.13 g/mol
Exact Mass218.04
IUPAC Name[(1R,7R)-1-bromo-3-azabicyclo[5.1.0]octan-7-yl]methanamine
SMILESNC[C@]12CCCNC[C@@]1(Br)C2
InChIInChI=1S/C8H15BrN2/c9-8-4-7(8,5-10)2-1-3-11-6-8/h11H,1-6,10H2/t7-,8+/m1/s1
InChIKeyRXAPFXBPBLPWIL-SFYZADRCSA-N
XLogP0.85
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.13
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(1R,7R)-1-bromo-3-azabicyclo[5.1.0]octan-7-yl]methanamine?
The IUPAC name of [(1R,7R)-1-bromo-3-azabicyclo[5.1.0]octan-7-yl]methanamine (CID 162367515) is [(1R,7R)-1-bromo-3-azabicyclo[5.1.0]octan-7-yl]methanamine.
What is the SMILES notation for [(1R,7R)-1-bromo-3-azabicyclo[5.1.0]octan-7-yl]methanamine?
The canonical SMILES for [(1R,7R)-1-bromo-3-azabicyclo[5.1.0]octan-7-yl]methanamine is NC[C@]12CCCNC[C@@]1(Br)C2.
What is the InChIKey of [(1R,7R)-1-bromo-3-azabicyclo[5.1.0]octan-7-yl]methanamine?
The InChIKey is RXAPFXBPBLPWIL-SFYZADRCSA-N. The full InChI is InChI=1S/C8H15BrN2/c9-8-4-7(8,5-10)2-1-3-11-6-8/h11H,1-6,10H2/t7-,8+/m1/s1.
What are the key properties of [(1R,7R)-1-bromo-3-azabicyclo[5.1.0]octan-7-yl]methanamine?
[(1R,7R)-1-bromo-3-azabicyclo[5.1.0]octan-7-yl]methanamine has a molecular weight of 219.13 g/mol, XLogP of 0.85, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,7R)-1-bromo-3-azabicyclo[5.1.0]octan-7-yl]methanamine is sourced from PubChem (CID 162367515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).