3-azatricyclo[7.3.1.03,7]tridecane

C12H21N — CID 57261667

IUPAC3-azatricyclo[7.3.1.03,7]tridecane
SMILESC1CC2CC(C1)CN1CCCC1C2
InChIInChI=1S/C12H21N/c1-3-10-7-11(4-1)9-13-6-2-5-12(13)8-10/h10-12H,1-9H2
InChIKeyQOIORCBOPZDXTQ-UHFFFAOYSA-N
MW179.31 g/mol
LogP2.66
Rot. Bonds

About 3-azatricyclo[7.3.1.03,7]tridecane

3-azatricyclo[7.3.1.03,7]tridecane (PubChem CID 57261667) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is 3-azatricyclo[7.3.1.03,7]tridecane.

Molecular Properties

Compound Name3-azatricyclo[7.3.1.03,7]tridecane
PubChem CID57261667
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC Name3-azatricyclo[7.3.1.03,7]tridecane
SMILESC1CC2CC(C1)CN1CCCC1C2
InChIInChI=1S/C12H21N/c1-3-10-7-11(4-1)9-13-6-2-5-12(13)8-10/h10-12H,1-9H2
InChIKeyQOIORCBOPZDXTQ-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 3-azatricyclo[7.3.1.03,7]tridecane?
The IUPAC name of 3-azatricyclo[7.3.1.03,7]tridecane (CID 57261667) is 3-azatricyclo[7.3.1.03,7]tridecane.
What is the SMILES notation for 3-azatricyclo[7.3.1.03,7]tridecane?
The canonical SMILES for 3-azatricyclo[7.3.1.03,7]tridecane is C1CC2CC(C1)CN1CCCC1C2.
What is the InChIKey of 3-azatricyclo[7.3.1.03,7]tridecane?
The InChIKey is QOIORCBOPZDXTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N/c1-3-10-7-11(4-1)9-13-6-2-5-12(13)8-10/h10-12H,1-9H2.
What are the key properties of 3-azatricyclo[7.3.1.03,7]tridecane?
3-azatricyclo[7.3.1.03,7]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 3-azatricyclo[7.3.1.03,7]tridecane is sourced from PubChem (CID 57261667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).