4-azatetracyclo[6.3.1.16,10.01,5]tridecane

C12H19N — CID 44590875

IUPAC4-azatetracyclo[6.3.1.16,10.01,5]tridecane
SMILESC1CC23CC4CC(CC(C4)C2N1)C3
InChIInChI=1S/C12H19N/c1-2-13-11-10-4-8-3-9(5-10)7-12(1,11)6-8/h8-11,13H,1-7H2
InChIKeyAJLVLCGTEKKIFS-UHFFFAOYSA-N
MW177.29 g/mol
LogP2.17
Rot. Bonds

About 4-azatetracyclo[6.3.1.16,10.01,5]tridecane

4-azatetracyclo[6.3.1.16,10.01,5]tridecane (PubChem CID 44590875) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is 4-azatetracyclo[6.3.1.16,10.01,5]tridecane.

Molecular Properties

Compound Name4-azatetracyclo[6.3.1.16,10.01,5]tridecane
PubChem CID44590875
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC Name4-azatetracyclo[6.3.1.16,10.01,5]tridecane
SMILESC1CC23CC4CC(CC(C4)C2N1)C3
InChIInChI=1S/C12H19N/c1-2-13-11-10-4-8-3-9(5-10)7-12(1,11)6-8/h8-11,13H,1-7H2
InChIKeyAJLVLCGTEKKIFS-UHFFFAOYSA-N
XLogP2.17
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 ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-azatetracyclo[6.3.1.16,10.01,5]tridecane?
The IUPAC name of 4-azatetracyclo[6.3.1.16,10.01,5]tridecane (CID 44590875) is 4-azatetracyclo[6.3.1.16,10.01,5]tridecane.
What is the SMILES notation for 4-azatetracyclo[6.3.1.16,10.01,5]tridecane?
The canonical SMILES for 4-azatetracyclo[6.3.1.16,10.01,5]tridecane is C1CC23CC4CC(CC(C4)C2N1)C3.
What is the InChIKey of 4-azatetracyclo[6.3.1.16,10.01,5]tridecane?
The InChIKey is AJLVLCGTEKKIFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N/c1-2-13-11-10-4-8-3-9(5-10)7-12(1,11)6-8/h8-11,13H,1-7H2.
What are the key properties of 4-azatetracyclo[6.3.1.16,10.01,5]tridecane?
4-azatetracyclo[6.3.1.16,10.01,5]tridecane has a molecular weight of 177.29 g/mol, XLogP of 2.17, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-azatetracyclo[6.3.1.16,10.01,5]tridecane is sourced from PubChem (CID 44590875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).