(2R,6S,8S)-4-azatricyclo[4.4.0.02,8]decane

C9H15N — CID 55288326

IUPAC(2R,6S,8S)-4-azatricyclo[4.4.0.02,8]decane
SMILESC1C[C@H]2C[C@@H]3CNC[C@H]2C13
InChIInChI=1S/C9H15N/c1-2-8-7-3-6(1)9(8)5-10-4-7/h6-10H,1-5H2/t6-,7+,8?,9+/m0/s1
InChIKeyKXTKSIJSKZAUJG-QRDCSKFFSA-N
MW137.23 g/mol
LogP1.25
Rot. Bonds

About (2R,6S,8S)-4-azatricyclo[4.4.0.02,8]decane

(2R,6S,8S)-4-azatricyclo[4.4.0.02,8]decane (PubChem CID 55288326) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is (2R,6S,8S)-4-azatricyclo[4.4.0.02,8]decane.

Molecular Properties

Compound Name(2R,6S,8S)-4-azatricyclo[4.4.0.02,8]decane
PubChem CID55288326
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name(2R,6S,8S)-4-azatricyclo[4.4.0.02,8]decane
SMILESC1C[C@H]2C[C@@H]3CNC[C@H]2C13
InChIInChI=1S/C9H15N/c1-2-8-7-3-6(1)9(8)5-10-4-7/h6-10H,1-5H2/t6-,7+,8?,9+/m0/s1
InChIKeyKXTKSIJSKZAUJG-QRDCSKFFSA-N
XLogP1.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2R,6S,8S)-4-azatricyclo[4.4.0.02,8]decane?
The IUPAC name of (2R,6S,8S)-4-azatricyclo[4.4.0.02,8]decane (CID 55288326) is (2R,6S,8S)-4-azatricyclo[4.4.0.02,8]decane.
What is the SMILES notation for (2R,6S,8S)-4-azatricyclo[4.4.0.02,8]decane?
The canonical SMILES for (2R,6S,8S)-4-azatricyclo[4.4.0.02,8]decane is C1C[C@H]2C[C@@H]3CNC[C@H]2C13.
What is the InChIKey of (2R,6S,8S)-4-azatricyclo[4.4.0.02,8]decane?
The InChIKey is KXTKSIJSKZAUJG-QRDCSKFFSA-N. The full InChI is InChI=1S/C9H15N/c1-2-8-7-3-6(1)9(8)5-10-4-7/h6-10H,1-5H2/t6-,7+,8?,9+/m0/s1.
What are the key properties of (2R,6S,8S)-4-azatricyclo[4.4.0.02,8]decane?
(2R,6S,8S)-4-azatricyclo[4.4.0.02,8]decane has a molecular weight of 137.23 g/mol, XLogP of 1.25, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S,8S)-4-azatricyclo[4.4.0.02,8]decane is sourced from PubChem (CID 55288326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).