1-[(5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-N,N-dimethylmethanamine

C12H24N2 — CID 134963715

IUPAC1-[(5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-N,N-dimethylmethanamine
SMILESCC[C@H]1CN2CCC1CC2CN(C)C
InChIInChI=1S/C12H24N2/c1-4-10-8-14-6-5-11(10)7-12(14)9-13(2)3/h10-12H,4-9H2,1-3H3/t10-,11?,12?/m0/s1
InChIKeyMTDBJJQOLBBXNF-UNXYVOJBSA-N
MW196.34 g/mol
LogP1.67
Rot. Bonds3

About 1-[(5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-N,N-dimethylmethanamine

1-[(5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-N,N-dimethylmethanamine (PubChem CID 134963715) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is 1-[(5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[(5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-N,N-dimethylmethanamine
PubChem CID134963715
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC Name1-[(5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-N,N-dimethylmethanamine
SMILESCC[C@H]1CN2CCC1CC2CN(C)C
InChIInChI=1S/C12H24N2/c1-4-10-8-14-6-5-11(10)7-12(14)9-13(2)3/h10-12H,4-9H2,1-3H3/t10-,11?,12?/m0/s1
InChIKeyMTDBJJQOLBBXNF-UNXYVOJBSA-N
XLogP1.67
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[(5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-N,N-dimethylmethanamine (CID 134963715) is 1-[(5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[(5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[(5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-N,N-dimethylmethanamine is CC[C@H]1CN2CCC1CC2CN(C)C.
What is the InChIKey of 1-[(5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-N,N-dimethylmethanamine?
The InChIKey is MTDBJJQOLBBXNF-UNXYVOJBSA-N. The full InChI is InChI=1S/C12H24N2/c1-4-10-8-14-6-5-11(10)7-12(14)9-13(2)3/h10-12H,4-9H2,1-3H3/t10-,11?,12?/m0/s1.
What are the key properties of 1-[(5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-N,N-dimethylmethanamine?
1-[(5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-N,N-dimethylmethanamine has a molecular weight of 196.34 g/mol, XLogP of 1.67, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 134963715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).