2-azatricyclo[6.2.0.03,6]decane

C9H15N — CID 53424320

IUPAC2-azatricyclo[6.2.0.03,6]decane
SMILESC1CC2NC3CCC3CC12
InChIInChI=1S/C9H15N/c1-3-8-6(1)5-7-2-4-9(7)10-8/h6-10H,1-5H2
InChIKeyJHDAWELPNAKBQG-UHFFFAOYSA-N
MW137.23 g/mol
LogP1.54
Rot. Bonds

About 2-azatricyclo[6.2.0.03,6]decane

2-azatricyclo[6.2.0.03,6]decane (PubChem CID 53424320) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is 2-azatricyclo[6.2.0.03,6]decane.

Molecular Properties

Compound Name2-azatricyclo[6.2.0.03,6]decane
PubChem CID53424320
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name2-azatricyclo[6.2.0.03,6]decane
SMILESC1CC2NC3CCC3CC12
InChIInChI=1S/C9H15N/c1-3-8-6(1)5-7-2-4-9(7)10-8/h6-10H,1-5H2
InChIKeyJHDAWELPNAKBQG-UHFFFAOYSA-N
XLogP1.54
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 ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-azatricyclo[6.2.0.03,6]decane?
The IUPAC name of 2-azatricyclo[6.2.0.03,6]decane (CID 53424320) is 2-azatricyclo[6.2.0.03,6]decane.
What is the SMILES notation for 2-azatricyclo[6.2.0.03,6]decane?
The canonical SMILES for 2-azatricyclo[6.2.0.03,6]decane is C1CC2NC3CCC3CC12.
What is the InChIKey of 2-azatricyclo[6.2.0.03,6]decane?
The InChIKey is JHDAWELPNAKBQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N/c1-3-8-6(1)5-7-2-4-9(7)10-8/h6-10H,1-5H2.
What are the key properties of 2-azatricyclo[6.2.0.03,6]decane?
2-azatricyclo[6.2.0.03,6]decane has a molecular weight of 137.23 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 2-azatricyclo[6.2.0.03,6]decane is sourced from PubChem (CID 53424320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).