(1R,5S)-2-azabicyclo[3.3.1]nonane

C8H15N — CID 98594771

IUPAC(1R,5S)-2-azabicyclo[3.3.1]nonane
SMILESC1C[C@H]2CCN[C@H](C1)C2
InChIInChI=1S/C8H15N/c1-2-7-4-5-9-8(3-1)6-7/h7-9H,1-6H2/t7-,8+/m0/s1
InChIKeyZPAPCUKKKOSLPZ-JGVFFNPUSA-N
MW125.22 g/mol
LogP1.54
Rot. Bonds

About (1R,5S)-2-azabicyclo[3.3.1]nonane

(1R,5S)-2-azabicyclo[3.3.1]nonane (PubChem CID 98594771) has the molecular formula C8H15N and a molecular weight of 125.22 g/mol. Its IUPAC name is (1R,5S)-2-azabicyclo[3.3.1]nonane.

Molecular Properties

Compound Name(1R,5S)-2-azabicyclo[3.3.1]nonane
PubChem CID98594771
Molecular FormulaC8H15N
Molecular Weight125.22 g/mol
Exact Mass125.12
IUPAC Name(1R,5S)-2-azabicyclo[3.3.1]nonane
SMILESC1C[C@H]2CCN[C@H](C1)C2
InChIInChI=1S/C8H15N/c1-2-7-4-5-9-8(3-1)6-7/h7-9H,1-6H2/t7-,8+/m0/s1
InChIKeyZPAPCUKKKOSLPZ-JGVFFNPUSA-N
XLogP1.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.22
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1R,5S)-2-azabicyclo[3.3.1]nonane?
The IUPAC name of (1R,5S)-2-azabicyclo[3.3.1]nonane (CID 98594771) is (1R,5S)-2-azabicyclo[3.3.1]nonane.
What is the SMILES notation for (1R,5S)-2-azabicyclo[3.3.1]nonane?
The canonical SMILES for (1R,5S)-2-azabicyclo[3.3.1]nonane is C1C[C@H]2CCN[C@H](C1)C2.
What is the InChIKey of (1R,5S)-2-azabicyclo[3.3.1]nonane?
The InChIKey is ZPAPCUKKKOSLPZ-JGVFFNPUSA-N. The full InChI is InChI=1S/C8H15N/c1-2-7-4-5-9-8(3-1)6-7/h7-9H,1-6H2/t7-,8+/m0/s1.
What are the key properties of (1R,5S)-2-azabicyclo[3.3.1]nonane?
(1R,5S)-2-azabicyclo[3.3.1]nonane has a molecular weight of 125.22 g/mol, XLogP of 1.54, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-2-azabicyclo[3.3.1]nonane is sourced from PubChem (CID 98594771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).