3,7-diazabicyclo[3.3.2]decane

C8H16N2 — CID 18942852

IUPAC3,7-diazabicyclo[3.3.2]decane
SMILESC1CC2CNCC1CNC2
InChIInChI=1S/C8H16N2/c1-2-8-5-9-3-7(1)4-10-6-8/h7-10H,1-6H2
InChIKeyYUZRSPOKIHXHNZ-UHFFFAOYSA-N
MW140.23 g/mol
LogP0.21
Rot. Bonds

About 3,7-diazabicyclo[3.3.2]decane

3,7-diazabicyclo[3.3.2]decane (PubChem CID 18942852) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is 3,7-diazabicyclo[3.3.2]decane.

Molecular Properties

Compound Name3,7-diazabicyclo[3.3.2]decane
PubChem CID18942852
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name3,7-diazabicyclo[3.3.2]decane
SMILESC1CC2CNCC1CNC2
InChIInChI=1S/C8H16N2/c1-2-8-5-9-3-7(1)4-10-6-8/h7-10H,1-6H2
InChIKeyYUZRSPOKIHXHNZ-UHFFFAOYSA-N
XLogP0.21
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,9-Diazabicyclo[3.3.2]decane
CID 55299478
2,8-Diazabicyclo[3.3.2]decane
CID 69701471
2,7-Diazabicyclo[3.3.2]decane
CID 118210432
(1S,5R)-3,9-diazabicyclo[3.3.2]decane
CID 122672000
3-[(Azepan-1-yl)methyl]azepane
CID 165867669
3-Methyl-3,7-diazabicyclo[3.3.2]decane
CID 167216474
1-Azoniabicyclo[3.3.2]decane
CID 173033534

Frequently Asked Questions

What is the IUPAC name of 3,7-diazabicyclo[3.3.2]decane?
The IUPAC name of 3,7-diazabicyclo[3.3.2]decane (CID 18942852) is 3,7-diazabicyclo[3.3.2]decane.
What is the SMILES notation for 3,7-diazabicyclo[3.3.2]decane?
The canonical SMILES for 3,7-diazabicyclo[3.3.2]decane is C1CC2CNCC1CNC2.
What is the InChIKey of 3,7-diazabicyclo[3.3.2]decane?
The InChIKey is YUZRSPOKIHXHNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2/c1-2-8-5-9-3-7(1)4-10-6-8/h7-10H,1-6H2.
What are the key properties of 3,7-diazabicyclo[3.3.2]decane?
3,7-diazabicyclo[3.3.2]decane has a molecular weight of 140.23 g/mol, XLogP of 0.21, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-diazabicyclo[3.3.2]decane is sourced from PubChem (CID 18942852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).