1,4-diazabicyclo[4.2.2]decane

C8H16N2 — CID 19908218

IUPAC1,4-diazabicyclo[4.2.2]decane
SMILESC1CN2CCC(CC2)CN1
InChIInChI=1S/C8H16N2/c1-4-10-5-2-8(1)7-9-3-6-10/h8-9H,1-7H2
InChIKeyJGJALPRFVGJVIT-UHFFFAOYSA-N
MW140.23 g/mol
LogP0.30
Rot. Bonds

About 1,4-diazabicyclo[4.2.2]decane

1,4-diazabicyclo[4.2.2]decane (PubChem CID 19908218) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is 1,4-diazabicyclo[4.2.2]decane.

Molecular Properties

Compound Name1,4-diazabicyclo[4.2.2]decane
PubChem CID19908218
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name1,4-diazabicyclo[4.2.2]decane
SMILESC1CN2CCC(CC2)CN1
InChIInChI=1S/C8H16N2/c1-4-10-5-2-8(1)7-9-3-6-10/h8-9H,1-7H2
InChIKeyJGJALPRFVGJVIT-UHFFFAOYSA-N
XLogP0.30
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,4-diazabicyclo[4.2.2]decane?
The IUPAC name of 1,4-diazabicyclo[4.2.2]decane (CID 19908218) is 1,4-diazabicyclo[4.2.2]decane.
What is the SMILES notation for 1,4-diazabicyclo[4.2.2]decane?
The canonical SMILES for 1,4-diazabicyclo[4.2.2]decane is C1CN2CCC(CC2)CN1.
What is the InChIKey of 1,4-diazabicyclo[4.2.2]decane?
The InChIKey is JGJALPRFVGJVIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2/c1-4-10-5-2-8(1)7-9-3-6-10/h8-9H,1-7H2.
What are the key properties of 1,4-diazabicyclo[4.2.2]decane?
1,4-diazabicyclo[4.2.2]decane has a molecular weight of 140.23 g/mol, XLogP of 0.30, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-diazabicyclo[4.2.2]decane is sourced from PubChem (CID 19908218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).