2-cyclopropyl-3-(2-methylpropoxy)-2-(propylamino)propanenitrile

C13H24N2O — CID 63906489

IUPAC2-cyclopropyl-3-(2-methylpropoxy)-2-(propylamino)propanenitrile
SMILESCCCNC(C#N)(COCC(C)C)C1CC1
InChIInChI=1S/C13H24N2O/c1-4-7-15-13(9-14,12-5-6-12)10-16-8-11(2)3/h11-12,15H,4-8,10H2,1-3H3
InChIKeyLYRZPXDYFJFDOB-UHFFFAOYSA-N
MW224.35 g/mol
LogP2.33
Rot. Bonds8

About 2-cyclopropyl-3-(2-methylpropoxy)-2-(propylamino)propanenitrile

2-cyclopropyl-3-(2-methylpropoxy)-2-(propylamino)propanenitrile (PubChem CID 63906489) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 2-cyclopropyl-3-(2-methylpropoxy)-2-(propylamino)propanenitrile.

Molecular Properties

Compound Name2-cyclopropyl-3-(2-methylpropoxy)-2-(propylamino)propanenitrile
PubChem CID63906489
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name2-cyclopropyl-3-(2-methylpropoxy)-2-(propylamino)propanenitrile
SMILESCCCNC(C#N)(COCC(C)C)C1CC1
InChIInChI=1S/C13H24N2O/c1-4-7-15-13(9-14,12-5-6-12)10-16-8-11(2)3/h11-12,15H,4-8,10H2,1-3H3
InChIKeyLYRZPXDYFJFDOB-UHFFFAOYSA-N
XLogP2.33
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Cyclopropyl-2-(methylamino)-3-(2,2,2-trifluoroethoxy)propanenitrile
CID 63906291
2-Cyclopropyl-2-(ethylamino)-3-(2,2,2-trifluoroethoxy)propanenitrile
CID 63906496
2-Cyclopropyl-2-(propylamino)-3-(2,2,2-trifluoroethoxy)propanenitrile
CID 63906499
2-Cyclopropyl-2-(cyclopropylamino)-3-(2,2,2-trifluoroethoxy)propanenitrile
CID 63906713
2-Cyclopropyl-2-(propan-2-ylamino)-3-(2,2,2-trifluoroethoxy)propanenitrile
CID 63906714
2-Cyclopropyl-2-(propylamino)-3-(1,1,1-trifluoropropan-2-yloxy)propanenitrile
CID 66274624
2-Cyclopropyl-2-(propan-2-ylamino)-3-(1,1,1-trifluoropropan-2-yloxy)propanenitrile
CID 66274847
2-Cyclopropyl-2-(ethylamino)-3-(1,1,1-trifluoropropan-2-yloxy)propanenitrile
CID 66275063
2-Cyclopropyl-2-(cyclopropylamino)-3-(1,1,1-trifluoropropan-2-yloxy)propanenitrile
CID 66276792
2-Cyclopropyl-3-methoxy-2-(2,2,2-trifluoroethylamino)propanenitrile
CID 80409694
2-Cyclopropyl-3-(2,2-difluoroethoxy)-2-(ethylamino)propanenitrile
CID 82006458
2-Cyclopropyl-3-(2,2-difluoroethoxy)-2-(propan-2-ylamino)propanenitrile
CID 82006690

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-(2-methylpropoxy)-2-(propylamino)propanenitrile?
The IUPAC name of 2-cyclopropyl-3-(2-methylpropoxy)-2-(propylamino)propanenitrile (CID 63906489) is 2-cyclopropyl-3-(2-methylpropoxy)-2-(propylamino)propanenitrile.
What is the SMILES notation for 2-cyclopropyl-3-(2-methylpropoxy)-2-(propylamino)propanenitrile?
The canonical SMILES for 2-cyclopropyl-3-(2-methylpropoxy)-2-(propylamino)propanenitrile is CCCNC(C#N)(COCC(C)C)C1CC1.
What is the InChIKey of 2-cyclopropyl-3-(2-methylpropoxy)-2-(propylamino)propanenitrile?
The InChIKey is LYRZPXDYFJFDOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-4-7-15-13(9-14,12-5-6-12)10-16-8-11(2)3/h11-12,15H,4-8,10H2,1-3H3.
What are the key properties of 2-cyclopropyl-3-(2-methylpropoxy)-2-(propylamino)propanenitrile?
2-cyclopropyl-3-(2-methylpropoxy)-2-(propylamino)propanenitrile has a molecular weight of 224.35 g/mol, XLogP of 2.33, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-(2-methylpropoxy)-2-(propylamino)propanenitrile is sourced from PubChem (CID 63906489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).