9-(2-methylbutan-2-yl)-8,9-diazabicyclo[5.2.1]deca-1(10),7-diene

C13H22N2 — CID 134286378

IUPAC9-(2-methylbutan-2-yl)-8,9-diazabicyclo[5.2.1]deca-1(10),7-diene
SMILESCCC(C)(C)n1nc2cc1CCCCC2
InChIInChI=1S/C13H22N2/c1-4-13(2,3)15-12-9-7-5-6-8-11(10-12)14-15/h10H,4-9H2,1-3H3
InChIKeyJOEDAIBAGAXRQL-UHFFFAOYSA-N
MW206.33 g/mol
LogP3.30
Rot. Bonds2

About 9-(2-methylbutan-2-yl)-8,9-diazabicyclo[5.2.1]deca-1(10),7-diene

9-(2-methylbutan-2-yl)-8,9-diazabicyclo[5.2.1]deca-1(10),7-diene (PubChem CID 134286378) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is 9-(2-methylbutan-2-yl)-8,9-diazabicyclo[5.2.1]deca-1(10),7-diene.

Molecular Properties

Compound Name9-(2-methylbutan-2-yl)-8,9-diazabicyclo[5.2.1]deca-1(10),7-diene
PubChem CID134286378
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name9-(2-methylbutan-2-yl)-8,9-diazabicyclo[5.2.1]deca-1(10),7-diene
SMILESCCC(C)(C)n1nc2cc1CCCCC2
InChIInChI=1S/C13H22N2/c1-4-13(2,3)15-12-9-7-5-6-8-11(10-12)14-15/h10H,4-9H2,1-3H3
InChIKeyJOEDAIBAGAXRQL-UHFFFAOYSA-N
XLogP3.30
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-(2-methylbutan-2-yl)-8,9-diazabicyclo[5.2.1]deca-1(10),7-diene?
The IUPAC name of 9-(2-methylbutan-2-yl)-8,9-diazabicyclo[5.2.1]deca-1(10),7-diene (CID 134286378) is 9-(2-methylbutan-2-yl)-8,9-diazabicyclo[5.2.1]deca-1(10),7-diene.
What is the SMILES notation for 9-(2-methylbutan-2-yl)-8,9-diazabicyclo[5.2.1]deca-1(10),7-diene?
The canonical SMILES for 9-(2-methylbutan-2-yl)-8,9-diazabicyclo[5.2.1]deca-1(10),7-diene is CCC(C)(C)n1nc2cc1CCCCC2.
What is the InChIKey of 9-(2-methylbutan-2-yl)-8,9-diazabicyclo[5.2.1]deca-1(10),7-diene?
The InChIKey is JOEDAIBAGAXRQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c1-4-13(2,3)15-12-9-7-5-6-8-11(10-12)14-15/h10H,4-9H2,1-3H3.
What are the key properties of 9-(2-methylbutan-2-yl)-8,9-diazabicyclo[5.2.1]deca-1(10),7-diene?
9-(2-methylbutan-2-yl)-8,9-diazabicyclo[5.2.1]deca-1(10),7-diene has a molecular weight of 206.33 g/mol, XLogP of 3.30, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-methylbutan-2-yl)-8,9-diazabicyclo[5.2.1]deca-1(10),7-diene is sourced from PubChem (CID 134286378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).