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

C14H23N — CID 44590876

IUPAC4-ethyl-4-azatetracyclo[6.3.1.16,10.01,5]tridecane
SMILESCCN1CCC23CC4CC(CC(C4)C12)C3
InChIInChI=1S/C14H23N/c1-2-15-4-3-14-8-10-5-11(9-14)7-12(6-10)13(14)15/h10-13H,2-9H2,1H3
InChIKeyQDOXGRGGXMWJPM-UHFFFAOYSA-N
MW205.34 g/mol
LogP2.91
Rot. Bonds1

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

4-ethyl-4-azatetracyclo[6.3.1.16,10.01,5]tridecane (PubChem CID 44590876) has the molecular formula C14H23N and a molecular weight of 205.34 g/mol. Its IUPAC name is 4-ethyl-4-azatetracyclo[6.3.1.16,10.01,5]tridecane.

Molecular Properties

Compound Name4-ethyl-4-azatetracyclo[6.3.1.16,10.01,5]tridecane
PubChem CID44590876
Molecular FormulaC14H23N
Molecular Weight205.34 g/mol
Exact Mass205.18
IUPAC Name4-ethyl-4-azatetracyclo[6.3.1.16,10.01,5]tridecane
SMILESCCN1CCC23CC4CC(CC(C4)C12)C3
InChIInChI=1S/C14H23N/c1-2-15-4-3-14-8-10-5-11(9-14)7-12(6-10)13(14)15/h10-13H,2-9H2,1H3
InChIKeyQDOXGRGGXMWJPM-UHFFFAOYSA-N
XLogP2.91
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.34
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-4-azatetracyclo[6.3.1.16,10.01,5]tridecane?
The IUPAC name of 4-ethyl-4-azatetracyclo[6.3.1.16,10.01,5]tridecane (CID 44590876) is 4-ethyl-4-azatetracyclo[6.3.1.16,10.01,5]tridecane.
What is the SMILES notation for 4-ethyl-4-azatetracyclo[6.3.1.16,10.01,5]tridecane?
The canonical SMILES for 4-ethyl-4-azatetracyclo[6.3.1.16,10.01,5]tridecane is CCN1CCC23CC4CC(CC(C4)C12)C3.
What is the InChIKey of 4-ethyl-4-azatetracyclo[6.3.1.16,10.01,5]tridecane?
The InChIKey is QDOXGRGGXMWJPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N/c1-2-15-4-3-14-8-10-5-11(9-14)7-12(6-10)13(14)15/h10-13H,2-9H2,1H3.
What are the key properties of 4-ethyl-4-azatetracyclo[6.3.1.16,10.01,5]tridecane?
4-ethyl-4-azatetracyclo[6.3.1.16,10.01,5]tridecane has a molecular weight of 205.34 g/mol, XLogP of 2.91, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-4-azatetracyclo[6.3.1.16,10.01,5]tridecane is sourced from PubChem (CID 44590876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).