N,N-diethyl-1-azabicyclo[2.2.2]octan-2-amine

C11H22N2 — CID 54348814

IUPACN,N-diethyl-1-azabicyclo[2.2.2]octan-2-amine
SMILESCCN(CC)C1CC2CCN1CC2
InChIInChI=1S/C11H22N2/c1-3-12(4-2)11-9-10-5-7-13(11)8-6-10/h10-11H,3-9H2,1-2H3
InChIKeyUEFLWTHNNFYEJF-UHFFFAOYSA-N
MW182.31 g/mol
LogP1.77
Rot. Bonds3

About N,N-diethyl-1-azabicyclo[2.2.2]octan-2-amine

N,N-diethyl-1-azabicyclo[2.2.2]octan-2-amine (PubChem CID 54348814) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is N,N-diethyl-1-azabicyclo[2.2.2]octan-2-amine.

Molecular Properties

Compound NameN,N-diethyl-1-azabicyclo[2.2.2]octan-2-amine
PubChem CID54348814
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC NameN,N-diethyl-1-azabicyclo[2.2.2]octan-2-amine
SMILESCCN(CC)C1CC2CCN1CC2
InChIInChI=1S/C11H22N2/c1-3-12(4-2)11-9-10-5-7-13(11)8-6-10/h10-11H,3-9H2,1-2H3
InChIKeyUEFLWTHNNFYEJF-UHFFFAOYSA-N
XLogP1.77
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1-azabicyclo[2.2.2]octan-2-amine?
The IUPAC name of N,N-diethyl-1-azabicyclo[2.2.2]octan-2-amine (CID 54348814) is N,N-diethyl-1-azabicyclo[2.2.2]octan-2-amine.
What is the SMILES notation for N,N-diethyl-1-azabicyclo[2.2.2]octan-2-amine?
The canonical SMILES for N,N-diethyl-1-azabicyclo[2.2.2]octan-2-amine is CCN(CC)C1CC2CCN1CC2.
What is the InChIKey of N,N-diethyl-1-azabicyclo[2.2.2]octan-2-amine?
The InChIKey is UEFLWTHNNFYEJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2/c1-3-12(4-2)11-9-10-5-7-13(11)8-6-10/h10-11H,3-9H2,1-2H3.
What are the key properties of N,N-diethyl-1-azabicyclo[2.2.2]octan-2-amine?
N,N-diethyl-1-azabicyclo[2.2.2]octan-2-amine has a molecular weight of 182.31 g/mol, XLogP of 1.77, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1-azabicyclo[2.2.2]octan-2-amine is sourced from PubChem (CID 54348814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).