1,8-diazabicyclo[6.6.1]pentadecan-15-one

C13H24N2O — CID 54065681

IUPAC1,8-diazabicyclo[6.6.1]pentadecan-15-one
SMILESO=C1N2CCCCCCN1CCCCCC2
InChIInChI=1S/C13H24N2O/c16-13-14-9-5-1-2-6-10-15(13)12-8-4-3-7-11-14/h1-12H2
InChIKeyMCTXTWOBQCFYTG-UHFFFAOYSA-N
MW224.35 g/mol
LogP2.86
Rot. Bonds

About 1,8-diazabicyclo[6.6.1]pentadecan-15-one

1,8-diazabicyclo[6.6.1]pentadecan-15-one (PubChem CID 54065681) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 1,8-diazabicyclo[6.6.1]pentadecan-15-one.

Molecular Properties

Compound Name1,8-diazabicyclo[6.6.1]pentadecan-15-one
PubChem CID54065681
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name1,8-diazabicyclo[6.6.1]pentadecan-15-one
SMILESO=C1N2CCCCCCN1CCCCCC2
InChIInChI=1S/C13H24N2O/c16-13-14-9-5-1-2-6-10-15(13)12-8-4-3-7-11-14/h1-12H2
InChIKeyMCTXTWOBQCFYTG-UHFFFAOYSA-N
XLogP2.86
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,8-diazabicyclo[6.6.1]pentadecan-15-one?
The IUPAC name of 1,8-diazabicyclo[6.6.1]pentadecan-15-one (CID 54065681) is 1,8-diazabicyclo[6.6.1]pentadecan-15-one.
What is the SMILES notation for 1,8-diazabicyclo[6.6.1]pentadecan-15-one?
The canonical SMILES for 1,8-diazabicyclo[6.6.1]pentadecan-15-one is O=C1N2CCCCCCN1CCCCCC2.
What is the InChIKey of 1,8-diazabicyclo[6.6.1]pentadecan-15-one?
The InChIKey is MCTXTWOBQCFYTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c16-13-14-9-5-1-2-6-10-15(13)12-8-4-3-7-11-14/h1-12H2.
What are the key properties of 1,8-diazabicyclo[6.6.1]pentadecan-15-one?
1,8-diazabicyclo[6.6.1]pentadecan-15-one has a molecular weight of 224.35 g/mol, XLogP of 2.86, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,8-diazabicyclo[6.6.1]pentadecan-15-one is sourced from PubChem (CID 54065681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).