1,15-diazabicyclo[9.4.0]pentadeca-12,14-diene

C13H22N2 — CID 122524987

IUPAC1,15-diazabicyclo[9.4.0]pentadeca-12,14-diene
SMILESC1=CC2CCCCCCCCCN2N=C1
InChIInChI=1S/C13H22N2/c1-2-4-6-9-13-10-8-11-14-15(13)12-7-5-3-1/h8,10-11,13H,1-7,9,12H2
InChIKeyCDRGRKYEPMMTQT-UHFFFAOYSA-N
MW206.33 g/mol
LogP3.35
Rot. Bonds

About 1,15-diazabicyclo[9.4.0]pentadeca-12,14-diene

1,15-diazabicyclo[9.4.0]pentadeca-12,14-diene (PubChem CID 122524987) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is 1,15-diazabicyclo[9.4.0]pentadeca-12,14-diene.

Molecular Properties

Compound Name1,15-diazabicyclo[9.4.0]pentadeca-12,14-diene
PubChem CID122524987
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name1,15-diazabicyclo[9.4.0]pentadeca-12,14-diene
SMILESC1=CC2CCCCCCCCCN2N=C1
InChIInChI=1S/C13H22N2/c1-2-4-6-9-13-10-8-11-14-15(13)12-7-5-3-1/h8,10-11,13H,1-7,9,12H2
InChIKeyCDRGRKYEPMMTQT-UHFFFAOYSA-N
XLogP3.35
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,15-diazabicyclo[9.4.0]pentadeca-12,14-diene?
The IUPAC name of 1,15-diazabicyclo[9.4.0]pentadeca-12,14-diene (CID 122524987) is 1,15-diazabicyclo[9.4.0]pentadeca-12,14-diene.
What is the SMILES notation for 1,15-diazabicyclo[9.4.0]pentadeca-12,14-diene?
The canonical SMILES for 1,15-diazabicyclo[9.4.0]pentadeca-12,14-diene is C1=CC2CCCCCCCCCN2N=C1.
What is the InChIKey of 1,15-diazabicyclo[9.4.0]pentadeca-12,14-diene?
The InChIKey is CDRGRKYEPMMTQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c1-2-4-6-9-13-10-8-11-14-15(13)12-7-5-3-1/h8,10-11,13H,1-7,9,12H2.
What are the key properties of 1,15-diazabicyclo[9.4.0]pentadeca-12,14-diene?
1,15-diazabicyclo[9.4.0]pentadeca-12,14-diene has a molecular weight of 206.33 g/mol, XLogP of 3.35, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,15-diazabicyclo[9.4.0]pentadeca-12,14-diene is sourced from PubChem (CID 122524987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).