3-ethoxy-1-(propan-2-ylamino)cyclobutane-1-carbonitrile

C10H18N2O — CID 106822385

IUPAC3-ethoxy-1-(propan-2-ylamino)cyclobutane-1-carbonitrile
SMILESCCOC1CC(C#N)(NC(C)C)C1
InChIInChI=1S/C10H18N2O/c1-4-13-9-5-10(6-9,7-11)12-8(2)3/h8-9,12H,4-6H2,1-3H3
InChIKeyOYNGUWFZCVHUMD-UHFFFAOYSA-N
MW182.27 g/mol
LogP1.45
Rot. Bonds4

About 3-ethoxy-1-(propan-2-ylamino)cyclobutane-1-carbonitrile

3-ethoxy-1-(propan-2-ylamino)cyclobutane-1-carbonitrile (PubChem CID 106822385) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 3-ethoxy-1-(propan-2-ylamino)cyclobutane-1-carbonitrile.

Molecular Properties

Compound Name3-ethoxy-1-(propan-2-ylamino)cyclobutane-1-carbonitrile
PubChem CID106822385
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name3-ethoxy-1-(propan-2-ylamino)cyclobutane-1-carbonitrile
SMILESCCOC1CC(C#N)(NC(C)C)C1
InChIInChI=1S/C10H18N2O/c1-4-13-9-5-10(6-9,7-11)12-8(2)3/h8-9,12H,4-6H2,1-3H3
InChIKeyOYNGUWFZCVHUMD-UHFFFAOYSA-N
XLogP1.45
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethoxy-1-(2-methylpropylamino)cyclobutane-1-carbonitrile
CID 106822413
3-(2-ethoxyethoxy)-1-(propan-2-ylamino)cyclohexane-1-carbonitrile
CID 79625305
3-ethoxy-1-(2,2,2-trifluoroethylamino)cyclobutane-1-carbonitrile
CID 106822496
3-ethoxy-1-(3-hydroxypropylamino)cyclobutane-1-carbonitrile
CID 106822514
3-octoxy-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
CID 79639620
1-bromo-3-ethoxycyclobutane-1-carbonitrile
CID 106824047
3-propan-2-yl-1-(propan-2-ylamino)cyclobutane-1-carbonitrile
CID 103563238
3-(1-ethoxypropan-2-yloxy)-1-(propan-2-ylamino)cyclohexane-1-carbonitrile
CID 103489745
3-(2-methoxyethoxy)-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
CID 79638882
3-ethoxy-1-(4-fluoroanilino)cyclobutane-1-carbonitrile
CID 106822392
3-methoxy-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
CID 79639311
3-(2-methoxyethoxy)-1-(propan-2-ylamino)cyclohexane-1-carbonitrile
CID 79625682

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-1-(propan-2-ylamino)cyclobutane-1-carbonitrile?
The IUPAC name of 3-ethoxy-1-(propan-2-ylamino)cyclobutane-1-carbonitrile (CID 106822385) is 3-ethoxy-1-(propan-2-ylamino)cyclobutane-1-carbonitrile.
What is the SMILES notation for 3-ethoxy-1-(propan-2-ylamino)cyclobutane-1-carbonitrile?
The canonical SMILES for 3-ethoxy-1-(propan-2-ylamino)cyclobutane-1-carbonitrile is CCOC1CC(C#N)(NC(C)C)C1.
What is the InChIKey of 3-ethoxy-1-(propan-2-ylamino)cyclobutane-1-carbonitrile?
The InChIKey is OYNGUWFZCVHUMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-4-13-9-5-10(6-9,7-11)12-8(2)3/h8-9,12H,4-6H2,1-3H3.
What are the key properties of 3-ethoxy-1-(propan-2-ylamino)cyclobutane-1-carbonitrile?
3-ethoxy-1-(propan-2-ylamino)cyclobutane-1-carbonitrile has a molecular weight of 182.27 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-1-(propan-2-ylamino)cyclobutane-1-carbonitrile is sourced from PubChem (CID 106822385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).