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

C8H16N2 — CID 19775384

IUPACN-methyl-1-azabicyclo[2.2.2]octan-3-amine
SMILESCNC1CN2CCC1CC2
InChIInChI=1S/C8H16N2/c1-9-8-6-10-4-2-7(8)3-5-10/h7-9H,2-6H2,1H3
InChIKeyUWBYHCLTULMDDX-UHFFFAOYSA-N
MW140.23 g/mol
LogP0.30
Rot. Bonds1

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

N-methyl-1-azabicyclo[2.2.2]octan-3-amine (PubChem CID 19775384) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is N-methyl-1-azabicyclo[2.2.2]octan-3-amine.

Molecular Properties

Compound NameN-methyl-1-azabicyclo[2.2.2]octan-3-amine
PubChem CID19775384
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC NameN-methyl-1-azabicyclo[2.2.2]octan-3-amine
SMILESCNC1CN2CCC1CC2
InChIInChI=1S/C8H16N2/c1-9-8-6-10-4-2-7(8)3-5-10/h7-9H,2-6H2,1H3
InChIKeyUWBYHCLTULMDDX-UHFFFAOYSA-N
XLogP0.30
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
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 N-methyl-1-azabicyclo[2.2.2]octan-3-amine?
The IUPAC name of N-methyl-1-azabicyclo[2.2.2]octan-3-amine (CID 19775384) is N-methyl-1-azabicyclo[2.2.2]octan-3-amine.
What is the SMILES notation for N-methyl-1-azabicyclo[2.2.2]octan-3-amine?
The canonical SMILES for N-methyl-1-azabicyclo[2.2.2]octan-3-amine is CNC1CN2CCC1CC2.
What is the InChIKey of N-methyl-1-azabicyclo[2.2.2]octan-3-amine?
The InChIKey is UWBYHCLTULMDDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2/c1-9-8-6-10-4-2-7(8)3-5-10/h7-9H,2-6H2,1H3.
What are the key properties of N-methyl-1-azabicyclo[2.2.2]octan-3-amine?
N-methyl-1-azabicyclo[2.2.2]octan-3-amine has a molecular weight of 140.23 g/mol, XLogP of 0.30, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-azabicyclo[2.2.2]octan-3-amine is sourced from PubChem (CID 19775384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).