(1R,5S)-3-azabicyclo[3.2.1]octane

C7H13N — CID 51899493

IUPAC(1R,5S)-3-azabicyclo[3.2.1]octane
SMILESC1C[C@H]2CNC[C@@H]1C2
InChIInChI=1S/C7H13N/c1-2-7-3-6(1)4-8-5-7/h6-8H,1-5H2/t6-,7+
InChIKeyCJQNJRRDTPULTL-KNVOCYPGSA-N
MW111.19 g/mol
LogP1.01
Rot. Bonds

About (1R,5S)-3-azabicyclo[3.2.1]octane

(1R,5S)-3-azabicyclo[3.2.1]octane (PubChem CID 51899493) has the molecular formula C7H13N and a molecular weight of 111.19 g/mol. Its IUPAC name is (1R,5S)-3-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name(1R,5S)-3-azabicyclo[3.2.1]octane
PubChem CID51899493
Molecular FormulaC7H13N
Molecular Weight111.19 g/mol
Exact Mass111.10
IUPAC Name(1R,5S)-3-azabicyclo[3.2.1]octane
SMILESC1C[C@H]2CNC[C@@H]1C2
InChIInChI=1S/C7H13N/c1-2-7-3-6(1)4-8-5-7/h6-8H,1-5H2/t6-,7+
InChIKeyCJQNJRRDTPULTL-KNVOCYPGSA-N
XLogP1.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.19
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1R,5S)-3-azabicyclo[3.2.1]octane?
The IUPAC name of (1R,5S)-3-azabicyclo[3.2.1]octane (CID 51899493) is (1R,5S)-3-azabicyclo[3.2.1]octane.
What is the SMILES notation for (1R,5S)-3-azabicyclo[3.2.1]octane?
The canonical SMILES for (1R,5S)-3-azabicyclo[3.2.1]octane is C1C[C@H]2CNC[C@@H]1C2.
What is the InChIKey of (1R,5S)-3-azabicyclo[3.2.1]octane?
The InChIKey is CJQNJRRDTPULTL-KNVOCYPGSA-N. The full InChI is InChI=1S/C7H13N/c1-2-7-3-6(1)4-8-5-7/h6-8H,1-5H2/t6-,7+.
What are the key properties of (1R,5S)-3-azabicyclo[3.2.1]octane?
(1R,5S)-3-azabicyclo[3.2.1]octane has a molecular weight of 111.19 g/mol, XLogP of 1.01, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-3-azabicyclo[3.2.1]octane is sourced from PubChem (CID 51899493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).