4-azatricyclo[5.3.1.04,9]undecane

C10H17N — CID 132544181

IUPAC4-azatricyclo[5.3.1.04,9]undecane
SMILESC1CN2CCC3CC1CC2C3
InChIInChI=1S/C10H17N/c1-3-11-4-2-9-5-8(1)6-10(11)7-9/h8-10H,1-7H2
InChIKeyPXGYQFVAWYDHBX-UHFFFAOYSA-N
MW151.25 g/mol
LogP1.88
Rot. Bonds

About 4-azatricyclo[5.3.1.04,9]undecane

4-azatricyclo[5.3.1.04,9]undecane (PubChem CID 132544181) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is 4-azatricyclo[5.3.1.04,9]undecane.

Molecular Properties

Compound Name4-azatricyclo[5.3.1.04,9]undecane
PubChem CID132544181
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name4-azatricyclo[5.3.1.04,9]undecane
SMILESC1CN2CCC3CC1CC2C3
InChIInChI=1S/C10H17N/c1-3-11-4-2-9-5-8(1)6-10(11)7-9/h8-10H,1-7H2
InChIKeyPXGYQFVAWYDHBX-UHFFFAOYSA-N
XLogP1.88
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-azatricyclo[5.3.1.04,9]undecane?
The IUPAC name of 4-azatricyclo[5.3.1.04,9]undecane (CID 132544181) is 4-azatricyclo[5.3.1.04,9]undecane.
What is the SMILES notation for 4-azatricyclo[5.3.1.04,9]undecane?
The canonical SMILES for 4-azatricyclo[5.3.1.04,9]undecane is C1CN2CCC3CC1CC2C3.
What is the InChIKey of 4-azatricyclo[5.3.1.04,9]undecane?
The InChIKey is PXGYQFVAWYDHBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N/c1-3-11-4-2-9-5-8(1)6-10(11)7-9/h8-10H,1-7H2.
What are the key properties of 4-azatricyclo[5.3.1.04,9]undecane?
4-azatricyclo[5.3.1.04,9]undecane has a molecular weight of 151.25 g/mol, XLogP of 1.88, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-azatricyclo[5.3.1.04,9]undecane is sourced from PubChem (CID 132544181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).