2-(1-azabicyclo[2.2.2]octan-3-yl)-N-methylethanamine

C10H20N2 — CID 22404823

IUPAC2-(1-azabicyclo[2.2.2]octan-3-yl)-N-methylethanamine
SMILESCNCCC1CN2CCC1CC2
InChIInChI=1S/C10H20N2/c1-11-5-2-10-8-12-6-3-9(10)4-7-12/h9-11H,2-8H2,1H3
InChIKeyGPPBGTNZAKUEBR-UHFFFAOYSA-N
MW168.28 g/mol
LogP0.94
Rot. Bonds3

About 2-(1-azabicyclo[2.2.2]octan-3-yl)-N-methylethanamine

2-(1-azabicyclo[2.2.2]octan-3-yl)-N-methylethanamine (PubChem CID 22404823) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is 2-(1-azabicyclo[2.2.2]octan-3-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(1-azabicyclo[2.2.2]octan-3-yl)-N-methylethanamine
PubChem CID22404823
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Name2-(1-azabicyclo[2.2.2]octan-3-yl)-N-methylethanamine
SMILESCNCCC1CN2CCC1CC2
InChIInChI=1S/C10H20N2/c1-11-5-2-10-8-12-6-3-9(10)4-7-12/h9-11H,2-8H2,1H3
InChIKeyGPPBGTNZAKUEBR-UHFFFAOYSA-N
XLogP0.94
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(1-azabicyclo[2.2.2]octan-3-yl)-N-methylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-[2-(1-azabicyclo[2.2.2]octan-3-yl)ethyl]carbamate
CID 83985971
4-(1-azabicyclo[2.2.2]octan-3-yl)butan-2-one
CID 83985982
3-(chloromethyl)-1-azabicyclo[2.2.2]octane;hydrochloride
CID 19798332
CID 175197170
CID 175197170
3-[(2-methylpropan-2-yl)oxymethyl]-1-azabicyclo[2.2.2]octane
CID 58364949
[(3R)-1-azabicyclo[2.2.2]octan-3-yl]methyl methanesulfonate;hydrochloride
CID 71550960
3-[2-(4-phenylphenyl)ethyl]-1-azabicyclo[2.2.2]octane
CID 19077556
3-(piperidin-4-ylmethyl)-1-azabicyclo[2.2.2]octane
CID 86262815
ethyl 2-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]acetate
CID 151513288
2-(4-ethyl-1,4-diazatricyclo[5.2.2.02,6]undecan-3-yl)-N-methylethanamine
CID 112541055
4-(1-azabicyclo[2.2.2]octan-3-ylmethyl)-3-ethyl-1-methylpyrrolidin-2-one
CID 19987415
3-[(4-tert-butylphenoxy)methyl]-1-azabicyclo[2.2.2]octane
CID 57018133

Frequently Asked Questions

What is the IUPAC name of 2-(1-azabicyclo[2.2.2]octan-3-yl)-N-methylethanamine?
The IUPAC name of 2-(1-azabicyclo[2.2.2]octan-3-yl)-N-methylethanamine (CID 22404823) is 2-(1-azabicyclo[2.2.2]octan-3-yl)-N-methylethanamine.
What is the SMILES notation for 2-(1-azabicyclo[2.2.2]octan-3-yl)-N-methylethanamine?
The canonical SMILES for 2-(1-azabicyclo[2.2.2]octan-3-yl)-N-methylethanamine is CNCCC1CN2CCC1CC2.
What is the InChIKey of 2-(1-azabicyclo[2.2.2]octan-3-yl)-N-methylethanamine?
The InChIKey is GPPBGTNZAKUEBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2/c1-11-5-2-10-8-12-6-3-9(10)4-7-12/h9-11H,2-8H2,1H3.
What are the key properties of 2-(1-azabicyclo[2.2.2]octan-3-yl)-N-methylethanamine?
2-(1-azabicyclo[2.2.2]octan-3-yl)-N-methylethanamine has a molecular weight of 168.28 g/mol, XLogP of 0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-azabicyclo[2.2.2]octan-3-yl)-N-methylethanamine is sourced from PubChem (CID 22404823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).