6-azatricyclo[7.3.1.02,6]tridecane

C12H21N — CID 57233333

IUPAC6-azatricyclo[7.3.1.02,6]tridecane
SMILESC1CC2CCN3CCCC3C(C1)C2
InChIInChI=1S/C12H21N/c1-3-10-6-8-13-7-2-5-12(13)11(4-1)9-10/h10-12H,1-9H2
InChIKeyTZGCJQXKTJPYOS-UHFFFAOYSA-N
MW179.31 g/mol
LogP2.66
Rot. Bonds

About 6-azatricyclo[7.3.1.02,6]tridecane

6-azatricyclo[7.3.1.02,6]tridecane (PubChem CID 57233333) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is 6-azatricyclo[7.3.1.02,6]tridecane.

Molecular Properties

Compound Name6-azatricyclo[7.3.1.02,6]tridecane
PubChem CID57233333
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC Name6-azatricyclo[7.3.1.02,6]tridecane
SMILESC1CC2CCN3CCCC3C(C1)C2
InChIInChI=1S/C12H21N/c1-3-10-6-8-13-7-2-5-12(13)11(4-1)9-10/h10-12H,1-9H2
InChIKeyTZGCJQXKTJPYOS-UHFFFAOYSA-N
XLogP2.66
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-azatricyclo[7.3.1.02,6]tridecane?
The IUPAC name of 6-azatricyclo[7.3.1.02,6]tridecane (CID 57233333) is 6-azatricyclo[7.3.1.02,6]tridecane.
What is the SMILES notation for 6-azatricyclo[7.3.1.02,6]tridecane?
The canonical SMILES for 6-azatricyclo[7.3.1.02,6]tridecane is C1CC2CCN3CCCC3C(C1)C2.
What is the InChIKey of 6-azatricyclo[7.3.1.02,6]tridecane?
The InChIKey is TZGCJQXKTJPYOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N/c1-3-10-6-8-13-7-2-5-12(13)11(4-1)9-10/h10-12H,1-9H2.
What are the key properties of 6-azatricyclo[7.3.1.02,6]tridecane?
6-azatricyclo[7.3.1.02,6]tridecane has a molecular weight of 179.31 g/mol, XLogP of 2.66, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-azatricyclo[7.3.1.02,6]tridecane is sourced from PubChem (CID 57233333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).