2,5-diazabicyclo[5.5.0]dodecane

C10H20N2 — CID 58719586

IUPAC2,5-diazabicyclo[5.5.0]dodecane
SMILESC1CCC2CNCCNC2CC1
InChIInChI=1S/C10H20N2/c1-2-4-9-8-11-6-7-12-10(9)5-3-1/h9-12H,1-8H2
InChIKeyPDCPOIQWLUOZCM-UHFFFAOYSA-N
MW168.28 g/mol
LogP1.13
Rot. Bonds

About 2,5-diazabicyclo[5.5.0]dodecane

2,5-diazabicyclo[5.5.0]dodecane (PubChem CID 58719586) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is 2,5-diazabicyclo[5.5.0]dodecane.

Molecular Properties

Compound Name2,5-diazabicyclo[5.5.0]dodecane
PubChem CID58719586
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Name2,5-diazabicyclo[5.5.0]dodecane
SMILESC1CCC2CNCCNC2CC1
InChIInChI=1S/C10H20N2/c1-2-4-9-8-11-6-7-12-10(9)5-3-1/h9-12H,1-8H2
InChIKeyPDCPOIQWLUOZCM-UHFFFAOYSA-N
XLogP1.13
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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N'-[[(1R,4S)-4-aminocycloheptyl]methyl]-N-ethyl-propane-1,3-diamine
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CID 300307
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CID 92208703
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Frequently Asked Questions

What is the IUPAC name of 2,5-diazabicyclo[5.5.0]dodecane?
The IUPAC name of 2,5-diazabicyclo[5.5.0]dodecane (CID 58719586) is 2,5-diazabicyclo[5.5.0]dodecane.
What is the SMILES notation for 2,5-diazabicyclo[5.5.0]dodecane?
The canonical SMILES for 2,5-diazabicyclo[5.5.0]dodecane is C1CCC2CNCCNC2CC1.
What is the InChIKey of 2,5-diazabicyclo[5.5.0]dodecane?
The InChIKey is PDCPOIQWLUOZCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2/c1-2-4-9-8-11-6-7-12-10(9)5-3-1/h9-12H,1-8H2.
What are the key properties of 2,5-diazabicyclo[5.5.0]dodecane?
2,5-diazabicyclo[5.5.0]dodecane has a molecular weight of 168.28 g/mol, XLogP of 1.13, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diazabicyclo[5.5.0]dodecane is sourced from PubChem (CID 58719586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).