4-tert-butyl-4-azatricyclo[5.2.1.02,6]deca-2,5-diene

C13H19N — CID 3061050

IUPAC4-tert-butyl-4-azatricyclo[5.2.1.02,6]deca-2,5-diene
SMILESCC(C)(C)n1cc2c(c1)C1CCC2C1
InChIInChI=1S/C13H19N/c1-13(2,3)14-7-11-9-4-5-10(6-9)12(11)8-14/h7-10H,4-6H2,1-3H3
InChIKeyAEBBLVHWTKISRX-UHFFFAOYSA-N
MW189.30 g/mol
LogP3.61
Rot. Bonds

About 4-tert-butyl-4-azatricyclo[5.2.1.02,6]deca-2,5-diene

4-tert-butyl-4-azatricyclo[5.2.1.02,6]deca-2,5-diene (PubChem CID 3061050) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is 4-tert-butyl-4-azatricyclo[5.2.1.02,6]deca-2,5-diene.

Molecular Properties

Compound Name4-tert-butyl-4-azatricyclo[5.2.1.02,6]deca-2,5-diene
PubChem CID3061050
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name4-tert-butyl-4-azatricyclo[5.2.1.02,6]deca-2,5-diene
SMILESCC(C)(C)n1cc2c(c1)C1CCC2C1
InChIInChI=1S/C13H19N/c1-13(2,3)14-7-11-9-4-5-10(6-9)12(11)8-14/h7-10H,4-6H2,1-3H3
InChIKeyAEBBLVHWTKISRX-UHFFFAOYSA-N
XLogP3.61
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4,5,6,7-Tetrahydro-2H-4,7-methanoisoindol-2-yl)ethan-1-ol
CID 3047199
2-Phenyl-4,5,6,7-tetrahydro-2H-4,7-methanoisoindole
CID 3061047
4,5,6,7-Tetrahydro-2H-4,7-methanoisoindole
CID 71402091
2-Tert-butyl-4,5,6,7-tetrahydroisoindole
CID 23727312
5-methyl-2-(2-methylpropyl)-5,6-dihydro-4H-cyclopenta[c]pyrrole
CID 58834648
3-Butan-2-yl-1-methyl-4-(2-methylpropyl)pyrrole
CID 68318210
1-Tert-butyl-3,4-di(propan-2-yl)pyrrole
CID 71189502
2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrrole
CID 89169725
2-methyl-4a,5,6,7,7a,8-hexahydro-4H-cyclopenta[f]isoindole
CID 89169736
2-methyl-4a,8-dihydro-4H-cyclopenta[f]isoindole
CID 117828395
1-Tert-butyl-3,4-dipropylpyrrole
CID 132028933
1-Methyl-3,4-dipropylpyrrole
CID 132236741

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-4-azatricyclo[5.2.1.02,6]deca-2,5-diene?
The IUPAC name of 4-tert-butyl-4-azatricyclo[5.2.1.02,6]deca-2,5-diene (CID 3061050) is 4-tert-butyl-4-azatricyclo[5.2.1.02,6]deca-2,5-diene.
What is the SMILES notation for 4-tert-butyl-4-azatricyclo[5.2.1.02,6]deca-2,5-diene?
The canonical SMILES for 4-tert-butyl-4-azatricyclo[5.2.1.02,6]deca-2,5-diene is CC(C)(C)n1cc2c(c1)C1CCC2C1.
What is the InChIKey of 4-tert-butyl-4-azatricyclo[5.2.1.02,6]deca-2,5-diene?
The InChIKey is AEBBLVHWTKISRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N/c1-13(2,3)14-7-11-9-4-5-10(6-9)12(11)8-14/h7-10H,4-6H2,1-3H3.
What are the key properties of 4-tert-butyl-4-azatricyclo[5.2.1.02,6]deca-2,5-diene?
4-tert-butyl-4-azatricyclo[5.2.1.02,6]deca-2,5-diene has a molecular weight of 189.30 g/mol, XLogP of 3.61, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-4-azatricyclo[5.2.1.02,6]deca-2,5-diene is sourced from PubChem (CID 3061050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).