4-ethyl-1,4-diazabicyclo[4.2.2]decane

C10H20N2 — CID 123861450

IUPAC4-ethyl-1,4-diazabicyclo[4.2.2]decane
SMILESCCN1CCN2CCC(CC2)C1
InChIInChI=1S/C10H20N2/c1-2-11-7-8-12-5-3-10(9-11)4-6-12/h10H,2-9H2,1H3
InChIKeyXXJVJIUEDNNOKP-UHFFFAOYSA-N
MW168.28 g/mol
LogP1.03
Rot. Bonds1

About 4-ethyl-1,4-diazabicyclo[4.2.2]decane

4-ethyl-1,4-diazabicyclo[4.2.2]decane (PubChem CID 123861450) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is 4-ethyl-1,4-diazabicyclo[4.2.2]decane.

Molecular Properties

Compound Name4-ethyl-1,4-diazabicyclo[4.2.2]decane
PubChem CID123861450
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Name4-ethyl-1,4-diazabicyclo[4.2.2]decane
SMILESCCN1CCN2CCC(CC2)C1
InChIInChI=1S/C10H20N2/c1-2-11-7-8-12-5-3-10(9-11)4-6-12/h10H,2-9H2,1H3
InChIKeyXXJVJIUEDNNOKP-UHFFFAOYSA-N
XLogP1.03
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1,4-diazabicyclo[4.2.2]decane?
The IUPAC name of 4-ethyl-1,4-diazabicyclo[4.2.2]decane (CID 123861450) is 4-ethyl-1,4-diazabicyclo[4.2.2]decane.
What is the SMILES notation for 4-ethyl-1,4-diazabicyclo[4.2.2]decane?
The canonical SMILES for 4-ethyl-1,4-diazabicyclo[4.2.2]decane is CCN1CCN2CCC(CC2)C1.
What is the InChIKey of 4-ethyl-1,4-diazabicyclo[4.2.2]decane?
The InChIKey is XXJVJIUEDNNOKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2/c1-2-11-7-8-12-5-3-10(9-11)4-6-12/h10H,2-9H2,1H3.
What are the key properties of 4-ethyl-1,4-diazabicyclo[4.2.2]decane?
4-ethyl-1,4-diazabicyclo[4.2.2]decane has a molecular weight of 168.28 g/mol, XLogP of 1.03, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1,4-diazabicyclo[4.2.2]decane is sourced from PubChem (CID 123861450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).