N-(3-ethoxy-2-ethyl-2-methylcyclobutyl)-1-azabicyclo[2.2.2]octan-3-amine

C16H30N2O — CID 65167745

IUPACN-(3-ethoxy-2-ethyl-2-methylcyclobutyl)-1-azabicyclo[2.2.2]octan-3-amine
SMILESCCOC1CC(NC2CN3CCC2CC3)C1(C)CC
InChIInChI=1S/C16H30N2O/c1-4-16(3)14(10-15(16)19-5-2)17-13-11-18-8-6-12(13)7-9-18/h12-15,17H,4-11H2,1-3H3
InChIKeyMGGWSPLRDRYTMQ-UHFFFAOYSA-N
MW266.43 g/mol
LogP2.26
Rot. Bonds5

About N-(3-ethoxy-2-ethyl-2-methylcyclobutyl)-1-azabicyclo[2.2.2]octan-3-amine

N-(3-ethoxy-2-ethyl-2-methylcyclobutyl)-1-azabicyclo[2.2.2]octan-3-amine (PubChem CID 65167745) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is N-(3-ethoxy-2-ethyl-2-methylcyclobutyl)-1-azabicyclo[2.2.2]octan-3-amine.

Molecular Properties

Compound NameN-(3-ethoxy-2-ethyl-2-methylcyclobutyl)-1-azabicyclo[2.2.2]octan-3-amine
PubChem CID65167745
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC NameN-(3-ethoxy-2-ethyl-2-methylcyclobutyl)-1-azabicyclo[2.2.2]octan-3-amine
SMILESCCOC1CC(NC2CN3CCC2CC3)C1(C)CC
InChIInChI=1S/C16H30N2O/c1-4-16(3)14(10-15(16)19-5-2)17-13-11-18-8-6-12(13)7-9-18/h12-15,17H,4-11H2,1-3H3
InChIKeyMGGWSPLRDRYTMQ-UHFFFAOYSA-N
XLogP2.26
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(3-ethoxy-2-ethyl-2-methylcyclobutyl)-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-(3-ethoxy-2-ethyl-2-methylcyclobutyl)-1-azabicyclo[2.2.2]octan-3-amine?
The IUPAC name of N-(3-ethoxy-2-ethyl-2-methylcyclobutyl)-1-azabicyclo[2.2.2]octan-3-amine (CID 65167745) is N-(3-ethoxy-2-ethyl-2-methylcyclobutyl)-1-azabicyclo[2.2.2]octan-3-amine.
What is the SMILES notation for N-(3-ethoxy-2-ethyl-2-methylcyclobutyl)-1-azabicyclo[2.2.2]octan-3-amine?
The canonical SMILES for N-(3-ethoxy-2-ethyl-2-methylcyclobutyl)-1-azabicyclo[2.2.2]octan-3-amine is CCOC1CC(NC2CN3CCC2CC3)C1(C)CC.
What is the InChIKey of N-(3-ethoxy-2-ethyl-2-methylcyclobutyl)-1-azabicyclo[2.2.2]octan-3-amine?
The InChIKey is MGGWSPLRDRYTMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-4-16(3)14(10-15(16)19-5-2)17-13-11-18-8-6-12(13)7-9-18/h12-15,17H,4-11H2,1-3H3.
What are the key properties of N-(3-ethoxy-2-ethyl-2-methylcyclobutyl)-1-azabicyclo[2.2.2]octan-3-amine?
N-(3-ethoxy-2-ethyl-2-methylcyclobutyl)-1-azabicyclo[2.2.2]octan-3-amine has a molecular weight of 266.43 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxy-2-ethyl-2-methylcyclobutyl)-1-azabicyclo[2.2.2]octan-3-amine is sourced from PubChem (CID 65167745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).