3-azatetracyclo[6.3.1.16,10.01,5]tridecane

C12H19N — CID 25015532

IUPAC3-azatetracyclo[6.3.1.16,10.01,5]tridecane
SMILESC1C2CC3CC1CC1(CNCC31)C2
InChIInChI=1S/C12H19N/c1-8-2-10-3-9(1)5-12(4-8)7-13-6-11(10)12/h8-11,13H,1-7H2
InChIKeyRUOQMXLPXAWPBS-UHFFFAOYSA-N
MW177.29 g/mol
LogP2.03
Rot. Bonds

About 3-azatetracyclo[6.3.1.16,10.01,5]tridecane

3-azatetracyclo[6.3.1.16,10.01,5]tridecane (PubChem CID 25015532) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is 3-azatetracyclo[6.3.1.16,10.01,5]tridecane.

Molecular Properties

Compound Name3-azatetracyclo[6.3.1.16,10.01,5]tridecane
PubChem CID25015532
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC Name3-azatetracyclo[6.3.1.16,10.01,5]tridecane
SMILESC1C2CC3CC1CC1(CNCC31)C2
InChIInChI=1S/C12H19N/c1-8-2-10-3-9(1)5-12(4-8)7-13-6-11(10)12/h8-11,13H,1-7H2
InChIKeyRUOQMXLPXAWPBS-UHFFFAOYSA-N
XLogP2.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-azatetracyclo[6.3.1.16,10.01,5]tridecane?
The IUPAC name of 3-azatetracyclo[6.3.1.16,10.01,5]tridecane (CID 25015532) is 3-azatetracyclo[6.3.1.16,10.01,5]tridecane.
What is the SMILES notation for 3-azatetracyclo[6.3.1.16,10.01,5]tridecane?
The canonical SMILES for 3-azatetracyclo[6.3.1.16,10.01,5]tridecane is C1C2CC3CC1CC1(CNCC31)C2.
What is the InChIKey of 3-azatetracyclo[6.3.1.16,10.01,5]tridecane?
The InChIKey is RUOQMXLPXAWPBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N/c1-8-2-10-3-9(1)5-12(4-8)7-13-6-11(10)12/h8-11,13H,1-7H2.
What are the key properties of 3-azatetracyclo[6.3.1.16,10.01,5]tridecane?
3-azatetracyclo[6.3.1.16,10.01,5]tridecane has a molecular weight of 177.29 g/mol, XLogP of 2.03, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-azatetracyclo[6.3.1.16,10.01,5]tridecane is sourced from PubChem (CID 25015532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).