N-ethyl-N-methyl-1-azabicyclo[2.2.2]octan-3-amine

C10H20N2 — CID 54544728

IUPACN-ethyl-N-methyl-1-azabicyclo[2.2.2]octan-3-amine
SMILESCCN(C)C1CN2CCC1CC2
InChIInChI=1S/C10H20N2/c1-3-11(2)10-8-12-6-4-9(10)5-7-12/h9-10H,3-8H2,1-2H3
InChIKeyZFSUZWLWXBDWFP-UHFFFAOYSA-N
MW168.28 g/mol
LogP1.03
Rot. Bonds2

About N-ethyl-N-methyl-1-azabicyclo[2.2.2]octan-3-amine

N-ethyl-N-methyl-1-azabicyclo[2.2.2]octan-3-amine (PubChem CID 54544728) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is N-ethyl-N-methyl-1-azabicyclo[2.2.2]octan-3-amine.

Molecular Properties

Compound NameN-ethyl-N-methyl-1-azabicyclo[2.2.2]octan-3-amine
PubChem CID54544728
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC NameN-ethyl-N-methyl-1-azabicyclo[2.2.2]octan-3-amine
SMILESCCN(C)C1CN2CCC1CC2
InChIInChI=1S/C10H20N2/c1-3-11(2)10-8-12-6-4-9(10)5-7-12/h9-10H,3-8H2,1-2H3
InChIKeyZFSUZWLWXBDWFP-UHFFFAOYSA-N
XLogP1.03
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
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 N-ethyl-N-methyl-1-azabicyclo[2.2.2]octan-3-amine?
The IUPAC name of N-ethyl-N-methyl-1-azabicyclo[2.2.2]octan-3-amine (CID 54544728) is N-ethyl-N-methyl-1-azabicyclo[2.2.2]octan-3-amine.
What is the SMILES notation for N-ethyl-N-methyl-1-azabicyclo[2.2.2]octan-3-amine?
The canonical SMILES for N-ethyl-N-methyl-1-azabicyclo[2.2.2]octan-3-amine is CCN(C)C1CN2CCC1CC2.
What is the InChIKey of N-ethyl-N-methyl-1-azabicyclo[2.2.2]octan-3-amine?
The InChIKey is ZFSUZWLWXBDWFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2/c1-3-11(2)10-8-12-6-4-9(10)5-7-12/h9-10H,3-8H2,1-2H3.
What are the key properties of N-ethyl-N-methyl-1-azabicyclo[2.2.2]octan-3-amine?
N-ethyl-N-methyl-1-azabicyclo[2.2.2]octan-3-amine has a molecular weight of 168.28 g/mol, XLogP of 1.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-methyl-1-azabicyclo[2.2.2]octan-3-amine is sourced from PubChem (CID 54544728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).