13-azatetracyclo[8.2.1.02,9.04,7]tridecane

C12H19N — CID 54262789

IUPAC13-azatetracyclo[8.2.1.02,9.04,7]tridecane
SMILESC1CC2CC3C4CCC(N4)C3CC12
InChIInChI=1S/C12H19N/c1-2-8-6-10-9(5-7(1)8)11-3-4-12(10)13-11/h7-13H,1-6H2
InChIKeySZTHNVUDRUMZPP-UHFFFAOYSA-N
MW177.29 g/mol
LogP2.17
Rot. Bonds

About 13-azatetracyclo[8.2.1.02,9.04,7]tridecane

13-azatetracyclo[8.2.1.02,9.04,7]tridecane (PubChem CID 54262789) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is 13-azatetracyclo[8.2.1.02,9.04,7]tridecane.

Molecular Properties

Compound Name13-azatetracyclo[8.2.1.02,9.04,7]tridecane
PubChem CID54262789
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC Name13-azatetracyclo[8.2.1.02,9.04,7]tridecane
SMILESC1CC2CC3C4CCC(N4)C3CC12
InChIInChI=1S/C12H19N/c1-2-8-6-10-9(5-7(1)8)11-3-4-12(10)13-11/h7-13H,1-6H2
InChIKeySZTHNVUDRUMZPP-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 13-azatetracyclo[8.2.1.02,9.04,7]tridecane?
The IUPAC name of 13-azatetracyclo[8.2.1.02,9.04,7]tridecane (CID 54262789) is 13-azatetracyclo[8.2.1.02,9.04,7]tridecane.
What is the SMILES notation for 13-azatetracyclo[8.2.1.02,9.04,7]tridecane?
The canonical SMILES for 13-azatetracyclo[8.2.1.02,9.04,7]tridecane is C1CC2CC3C4CCC(N4)C3CC12.
What is the InChIKey of 13-azatetracyclo[8.2.1.02,9.04,7]tridecane?
The InChIKey is SZTHNVUDRUMZPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N/c1-2-8-6-10-9(5-7(1)8)11-3-4-12(10)13-11/h7-13H,1-6H2.
What are the key properties of 13-azatetracyclo[8.2.1.02,9.04,7]tridecane?
13-azatetracyclo[8.2.1.02,9.04,7]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 13-azatetracyclo[8.2.1.02,9.04,7]tridecane is sourced from PubChem (CID 54262789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).