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

C9H18N2 — CID 19849160

IUPACN-ethyl-1-azabicyclo[2.2.2]octan-3-amine
SMILESCCNC1CN2CCC1CC2
InChIInChI=1S/C9H18N2/c1-2-10-9-7-11-5-3-8(9)4-6-11/h8-10H,2-7H2,1H3
InChIKeyTYZRGRUUWKYFQP-UHFFFAOYSA-N
MW154.26 g/mol
LogP0.69
Rot. Bonds2

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

N-ethyl-1-azabicyclo[2.2.2]octan-3-amine (PubChem CID 19849160) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is N-ethyl-1-azabicyclo[2.2.2]octan-3-amine.

Molecular Properties

Compound NameN-ethyl-1-azabicyclo[2.2.2]octan-3-amine
PubChem CID19849160
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC NameN-ethyl-1-azabicyclo[2.2.2]octan-3-amine
SMILESCCNC1CN2CCC1CC2
InChIInChI=1S/C9H18N2/c1-2-10-9-7-11-5-3-8(9)4-6-11/h8-10H,2-7H2,1H3
InChIKeyTYZRGRUUWKYFQP-UHFFFAOYSA-N
XLogP0.69
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-ethyl-1-azabicyclo[2.2.2]octan-3-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-azabicyclo[2.2.2]octan-3-amine?
The IUPAC name of N-ethyl-1-azabicyclo[2.2.2]octan-3-amine (CID 19849160) is N-ethyl-1-azabicyclo[2.2.2]octan-3-amine.
What is the SMILES notation for N-ethyl-1-azabicyclo[2.2.2]octan-3-amine?
The canonical SMILES for N-ethyl-1-azabicyclo[2.2.2]octan-3-amine is CCNC1CN2CCC1CC2.
What is the InChIKey of N-ethyl-1-azabicyclo[2.2.2]octan-3-amine?
The InChIKey is TYZRGRUUWKYFQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c1-2-10-9-7-11-5-3-8(9)4-6-11/h8-10H,2-7H2,1H3.
What are the key properties of N-ethyl-1-azabicyclo[2.2.2]octan-3-amine?
N-ethyl-1-azabicyclo[2.2.2]octan-3-amine has a molecular weight of 154.26 g/mol, XLogP of 0.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-azabicyclo[2.2.2]octan-3-amine is sourced from PubChem (CID 19849160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).