1-azatricyclo[5.4.1.04,12]dodecane

C11H19N — CID 45098480

IUPAC1-azatricyclo[5.4.1.04,12]dodecane
SMILESC1CCN2CCC3CCC(C1)C32
InChIInChI=1S/C11H19N/c1-2-7-12-8-6-10-5-4-9(3-1)11(10)12/h9-11H,1-8H2
InChIKeyHPUKHSAVPLQDDA-UHFFFAOYSA-N
MW165.28 g/mol
LogP2.27
Rot. Bonds

About 1-azatricyclo[5.4.1.04,12]dodecane

1-azatricyclo[5.4.1.04,12]dodecane (PubChem CID 45098480) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is 1-azatricyclo[5.4.1.04,12]dodecane.

Molecular Properties

Compound Name1-azatricyclo[5.4.1.04,12]dodecane
PubChem CID45098480
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name1-azatricyclo[5.4.1.04,12]dodecane
SMILESC1CCN2CCC3CCC(C1)C32
InChIInChI=1S/C11H19N/c1-2-7-12-8-6-10-5-4-9(3-1)11(10)12/h9-11H,1-8H2
InChIKeyHPUKHSAVPLQDDA-UHFFFAOYSA-N
XLogP2.27
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-azatricyclo[5.4.1.04,12]dodecane?
The IUPAC name of 1-azatricyclo[5.4.1.04,12]dodecane (CID 45098480) is 1-azatricyclo[5.4.1.04,12]dodecane.
What is the SMILES notation for 1-azatricyclo[5.4.1.04,12]dodecane?
The canonical SMILES for 1-azatricyclo[5.4.1.04,12]dodecane is C1CCN2CCC3CCC(C1)C32.
What is the InChIKey of 1-azatricyclo[5.4.1.04,12]dodecane?
The InChIKey is HPUKHSAVPLQDDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N/c1-2-7-12-8-6-10-5-4-9(3-1)11(10)12/h9-11H,1-8H2.
What are the key properties of 1-azatricyclo[5.4.1.04,12]dodecane?
1-azatricyclo[5.4.1.04,12]dodecane has a molecular weight of 165.28 g/mol, XLogP of 2.27, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azatricyclo[5.4.1.04,12]dodecane is sourced from PubChem (CID 45098480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).