3-ethoxy-1-(2-methylpropylamino)cyclobutane-1-carbonitrile

C11H20N2O — CID 106822413

IUPAC3-ethoxy-1-(2-methylpropylamino)cyclobutane-1-carbonitrile
SMILESCCOC1CC(C#N)(NCC(C)C)C1
InChIInChI=1S/C11H20N2O/c1-4-14-10-5-11(6-10,8-12)13-7-9(2)3/h9-10,13H,4-7H2,1-3H3
InChIKeyTYZZJEBFUWHTAV-UHFFFAOYSA-N
MW196.29 g/mol
LogP1.69
Rot. Bonds5

About 3-ethoxy-1-(2-methylpropylamino)cyclobutane-1-carbonitrile

3-ethoxy-1-(2-methylpropylamino)cyclobutane-1-carbonitrile (PubChem CID 106822413) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 3-ethoxy-1-(2-methylpropylamino)cyclobutane-1-carbonitrile.

Molecular Properties

Compound Name3-ethoxy-1-(2-methylpropylamino)cyclobutane-1-carbonitrile
PubChem CID106822413
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name3-ethoxy-1-(2-methylpropylamino)cyclobutane-1-carbonitrile
SMILESCCOC1CC(C#N)(NCC(C)C)C1
InChIInChI=1S/C11H20N2O/c1-4-14-10-5-11(6-10,8-12)13-7-9(2)3/h9-10,13H,4-7H2,1-3H3
InChIKeyTYZZJEBFUWHTAV-UHFFFAOYSA-N
XLogP1.69
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-ethoxy-1-(2-methylpropylamino)cyclobutane-1-carbonitrile 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 3-ethoxy-1-(2-methylpropylamino)cyclobutane-1-carbonitrile?
The IUPAC name of 3-ethoxy-1-(2-methylpropylamino)cyclobutane-1-carbonitrile (CID 106822413) is 3-ethoxy-1-(2-methylpropylamino)cyclobutane-1-carbonitrile.
What is the SMILES notation for 3-ethoxy-1-(2-methylpropylamino)cyclobutane-1-carbonitrile?
The canonical SMILES for 3-ethoxy-1-(2-methylpropylamino)cyclobutane-1-carbonitrile is CCOC1CC(C#N)(NCC(C)C)C1.
What is the InChIKey of 3-ethoxy-1-(2-methylpropylamino)cyclobutane-1-carbonitrile?
The InChIKey is TYZZJEBFUWHTAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-4-14-10-5-11(6-10,8-12)13-7-9(2)3/h9-10,13H,4-7H2,1-3H3.
What are the key properties of 3-ethoxy-1-(2-methylpropylamino)cyclobutane-1-carbonitrile?
3-ethoxy-1-(2-methylpropylamino)cyclobutane-1-carbonitrile has a molecular weight of 196.29 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-1-(2-methylpropylamino)cyclobutane-1-carbonitrile is sourced from PubChem (CID 106822413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).