(1S,7R)-4-azatricyclo[5.2.1.02,6]decane

C9H15N — CID 55254914

IUPAC(1S,7R)-4-azatricyclo[5.2.1.02,6]decane
SMILESC1NCC2C1[C@@H]1CC[C@H]2C1
InChIInChI=1S/C9H15N/c1-2-7-3-6(1)8-4-10-5-9(7)8/h6-10H,1-5H2/t6-,7+,8?,9?
InChIKeyVBSDAMAWZZSZMY-QPIHLSAKSA-N
MW137.23 g/mol
LogP1.25
Rot. Bonds

About (1S,7R)-4-azatricyclo[5.2.1.02,6]decane

(1S,7R)-4-azatricyclo[5.2.1.02,6]decane (PubChem CID 55254914) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is (1S,7R)-4-azatricyclo[5.2.1.02,6]decane.

Molecular Properties

Compound Name(1S,7R)-4-azatricyclo[5.2.1.02,6]decane
PubChem CID55254914
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name(1S,7R)-4-azatricyclo[5.2.1.02,6]decane
SMILESC1NCC2C1[C@@H]1CC[C@H]2C1
InChIInChI=1S/C9H15N/c1-2-7-3-6(1)8-4-10-5-9(7)8/h6-10H,1-5H2/t6-,7+,8?,9?
InChIKeyVBSDAMAWZZSZMY-QPIHLSAKSA-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 (1S,7R)-4-azatricyclo[5.2.1.02,6]decane?
The IUPAC name of (1S,7R)-4-azatricyclo[5.2.1.02,6]decane (CID 55254914) is (1S,7R)-4-azatricyclo[5.2.1.02,6]decane.
What is the SMILES notation for (1S,7R)-4-azatricyclo[5.2.1.02,6]decane?
The canonical SMILES for (1S,7R)-4-azatricyclo[5.2.1.02,6]decane is C1NCC2C1[C@@H]1CC[C@H]2C1.
What is the InChIKey of (1S,7R)-4-azatricyclo[5.2.1.02,6]decane?
The InChIKey is VBSDAMAWZZSZMY-QPIHLSAKSA-N. The full InChI is InChI=1S/C9H15N/c1-2-7-3-6(1)8-4-10-5-9(7)8/h6-10H,1-5H2/t6-,7+,8?,9?.
What are the key properties of (1S,7R)-4-azatricyclo[5.2.1.02,6]decane?
(1S,7R)-4-azatricyclo[5.2.1.02,6]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 (1S,7R)-4-azatricyclo[5.2.1.02,6]decane is sourced from PubChem (CID 55254914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).