7-methyl-6-azatricyclo[6.2.1.02,6]undecane

C11H19N — CID 45098495

IUPAC7-methyl-6-azatricyclo[6.2.1.02,6]undecane
SMILESCC1C2CCC(C2)C2CCCN12
InChIInChI=1S/C11H19N/c1-8-9-4-5-10(7-9)11-3-2-6-12(8)11/h8-11H,2-7H2,1H3
InChIKeyWVDIOEXNXHPVHH-UHFFFAOYSA-N
MW165.28 g/mol
LogP2.27
Rot. Bonds

About 7-methyl-6-azatricyclo[6.2.1.02,6]undecane

7-methyl-6-azatricyclo[6.2.1.02,6]undecane (PubChem CID 45098495) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is 7-methyl-6-azatricyclo[6.2.1.02,6]undecane.

Molecular Properties

Compound Name7-methyl-6-azatricyclo[6.2.1.02,6]undecane
PubChem CID45098495
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name7-methyl-6-azatricyclo[6.2.1.02,6]undecane
SMILESCC1C2CCC(C2)C2CCCN12
InChIInChI=1S/C11H19N/c1-8-9-4-5-10(7-9)11-3-2-6-12(8)11/h8-11H,2-7H2,1H3
InChIKeyWVDIOEXNXHPVHH-UHFFFAOYSA-N
XLogP2.27
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-6-azatricyclo[6.2.1.02,6]undecane?
The IUPAC name of 7-methyl-6-azatricyclo[6.2.1.02,6]undecane (CID 45098495) is 7-methyl-6-azatricyclo[6.2.1.02,6]undecane.
What is the SMILES notation for 7-methyl-6-azatricyclo[6.2.1.02,6]undecane?
The canonical SMILES for 7-methyl-6-azatricyclo[6.2.1.02,6]undecane is CC1C2CCC(C2)C2CCCN12.
What is the InChIKey of 7-methyl-6-azatricyclo[6.2.1.02,6]undecane?
The InChIKey is WVDIOEXNXHPVHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N/c1-8-9-4-5-10(7-9)11-3-2-6-12(8)11/h8-11H,2-7H2,1H3.
What are the key properties of 7-methyl-6-azatricyclo[6.2.1.02,6]undecane?
7-methyl-6-azatricyclo[6.2.1.02,6]undecane has a molecular weight of 165.28 g/mol, XLogP of 2.27, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-6-azatricyclo[6.2.1.02,6]undecane is sourced from PubChem (CID 45098495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).