5-(2,2-dimethylpropyl)-6-methyl-3,4-diazatricyclo[6.2.1.02,7]undeca-2(7),3,5-triene

C15H22N2 — CID 69059729

IUPAC5-(2,2-dimethylpropyl)-6-methyl-3,4-diazatricyclo[6.2.1.02,7]undeca-2(7),3,5-triene
SMILESCc1c(CC(C)(C)C)nnc2c1C1CCC2C1
InChIInChI=1S/C15H22N2/c1-9-12(8-15(2,3)4)16-17-14-11-6-5-10(7-11)13(9)14/h10-11H,5-8H2,1-4H3
InChIKeyDPEFSEFEOZZHDR-UHFFFAOYSA-N
MW230.35 g/mol
LogP3.74
Rot. Bonds1

About 5-(2,2-dimethylpropyl)-6-methyl-3,4-diazatricyclo[6.2.1.02,7]undeca-2(7),3,5-triene

5-(2,2-dimethylpropyl)-6-methyl-3,4-diazatricyclo[6.2.1.02,7]undeca-2(7),3,5-triene (PubChem CID 69059729) has the molecular formula C15H22N2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 5-(2,2-dimethylpropyl)-6-methyl-3,4-diazatricyclo[6.2.1.02,7]undeca-2(7),3,5-triene.

Molecular Properties

Compound Name5-(2,2-dimethylpropyl)-6-methyl-3,4-diazatricyclo[6.2.1.02,7]undeca-2(7),3,5-triene
PubChem CID69059729
Molecular FormulaC15H22N2
Molecular Weight230.35 g/mol
Exact Mass230.18
IUPAC Name5-(2,2-dimethylpropyl)-6-methyl-3,4-diazatricyclo[6.2.1.02,7]undeca-2(7),3,5-triene
SMILESCc1c(CC(C)(C)C)nnc2c1C1CCC2C1
InChIInChI=1S/C15H22N2/c1-9-12(8-15(2,3)4)16-17-14-11-6-5-10(7-11)13(9)14/h10-11H,5-8H2,1-4H3
InChIKeyDPEFSEFEOZZHDR-UHFFFAOYSA-N
XLogP3.74
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2,2-dimethylpropyl)-6-methyl-3,4-diazatricyclo[6.2.1.02,7]undeca-2(7),3,5-triene?
The IUPAC name of 5-(2,2-dimethylpropyl)-6-methyl-3,4-diazatricyclo[6.2.1.02,7]undeca-2(7),3,5-triene (CID 69059729) is 5-(2,2-dimethylpropyl)-6-methyl-3,4-diazatricyclo[6.2.1.02,7]undeca-2(7),3,5-triene.
What is the SMILES notation for 5-(2,2-dimethylpropyl)-6-methyl-3,4-diazatricyclo[6.2.1.02,7]undeca-2(7),3,5-triene?
The canonical SMILES for 5-(2,2-dimethylpropyl)-6-methyl-3,4-diazatricyclo[6.2.1.02,7]undeca-2(7),3,5-triene is Cc1c(CC(C)(C)C)nnc2c1C1CCC2C1.
What is the InChIKey of 5-(2,2-dimethylpropyl)-6-methyl-3,4-diazatricyclo[6.2.1.02,7]undeca-2(7),3,5-triene?
The InChIKey is DPEFSEFEOZZHDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2/c1-9-12(8-15(2,3)4)16-17-14-11-6-5-10(7-11)13(9)14/h10-11H,5-8H2,1-4H3.
What are the key properties of 5-(2,2-dimethylpropyl)-6-methyl-3,4-diazatricyclo[6.2.1.02,7]undeca-2(7),3,5-triene?
5-(2,2-dimethylpropyl)-6-methyl-3,4-diazatricyclo[6.2.1.02,7]undeca-2(7),3,5-triene has a molecular weight of 230.35 g/mol, XLogP of 3.74, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dimethylpropyl)-6-methyl-3,4-diazatricyclo[6.2.1.02,7]undeca-2(7),3,5-triene is sourced from PubChem (CID 69059729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).