2,4,5,6-tetramethyl-3-azatricyclo[5.2.1.02,6]decane

C13H23N — CID 89009127

IUPAC2,4,5,6-tetramethyl-3-azatricyclo[5.2.1.02,6]decane
SMILESCC1NC2(C)C3CCC(C3)C2(C)C1C
InChIInChI=1S/C13H23N/c1-8-9(2)14-13(4)11-6-5-10(7-11)12(8,13)3/h8-11,14H,5-7H2,1-4H3
InChIKeyIUUISDMKVOERNU-UHFFFAOYSA-N
MW193.33 g/mol
LogP2.81
Rot. Bonds

About 2,4,5,6-tetramethyl-3-azatricyclo[5.2.1.02,6]decane

2,4,5,6-tetramethyl-3-azatricyclo[5.2.1.02,6]decane (PubChem CID 89009127) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is 2,4,5,6-tetramethyl-3-azatricyclo[5.2.1.02,6]decane.

Molecular Properties

Compound Name2,4,5,6-tetramethyl-3-azatricyclo[5.2.1.02,6]decane
PubChem CID89009127
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC Name2,4,5,6-tetramethyl-3-azatricyclo[5.2.1.02,6]decane
SMILESCC1NC2(C)C3CCC(C3)C2(C)C1C
InChIInChI=1S/C13H23N/c1-8-9(2)14-13(4)11-6-5-10(7-11)12(8,13)3/h8-11,14H,5-7H2,1-4H3
InChIKeyIUUISDMKVOERNU-UHFFFAOYSA-N
XLogP2.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,4,5,6-tetramethyl-3-azatricyclo[5.2.1.02,6]decane?
The IUPAC name of 2,4,5,6-tetramethyl-3-azatricyclo[5.2.1.02,6]decane (CID 89009127) is 2,4,5,6-tetramethyl-3-azatricyclo[5.2.1.02,6]decane.
What is the SMILES notation for 2,4,5,6-tetramethyl-3-azatricyclo[5.2.1.02,6]decane?
The canonical SMILES for 2,4,5,6-tetramethyl-3-azatricyclo[5.2.1.02,6]decane is CC1NC2(C)C3CCC(C3)C2(C)C1C.
What is the InChIKey of 2,4,5,6-tetramethyl-3-azatricyclo[5.2.1.02,6]decane?
The InChIKey is IUUISDMKVOERNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N/c1-8-9(2)14-13(4)11-6-5-10(7-11)12(8,13)3/h8-11,14H,5-7H2,1-4H3.
What are the key properties of 2,4,5,6-tetramethyl-3-azatricyclo[5.2.1.02,6]decane?
2,4,5,6-tetramethyl-3-azatricyclo[5.2.1.02,6]decane has a molecular weight of 193.33 g/mol, XLogP of 2.81, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5,6-tetramethyl-3-azatricyclo[5.2.1.02,6]decane is sourced from PubChem (CID 89009127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).