2-cyclopropyl-2-(ethylamino)-3-(2-methylbutan-2-yloxy)propanenitrile

C13H24N2O — CID 63907329

IUPAC2-cyclopropyl-2-(ethylamino)-3-(2-methylbutan-2-yloxy)propanenitrile
SMILESCCNC(C#N)(COC(C)(C)CC)C1CC1
InChIInChI=1S/C13H24N2O/c1-5-12(3,4)16-10-13(9-14,15-6-2)11-7-8-11/h11,15H,5-8,10H2,1-4H3
InChIKeyBMWMNKMREDQJEG-UHFFFAOYSA-N
MW224.35 g/mol
LogP2.47
Rot. Bonds7

About 2-cyclopropyl-2-(ethylamino)-3-(2-methylbutan-2-yloxy)propanenitrile

2-cyclopropyl-2-(ethylamino)-3-(2-methylbutan-2-yloxy)propanenitrile (PubChem CID 63907329) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 2-cyclopropyl-2-(ethylamino)-3-(2-methylbutan-2-yloxy)propanenitrile.

Molecular Properties

Compound Name2-cyclopropyl-2-(ethylamino)-3-(2-methylbutan-2-yloxy)propanenitrile
PubChem CID63907329
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name2-cyclopropyl-2-(ethylamino)-3-(2-methylbutan-2-yloxy)propanenitrile
SMILESCCNC(C#N)(COC(C)(C)CC)C1CC1
InChIInChI=1S/C13H24N2O/c1-5-12(3,4)16-10-13(9-14,15-6-2)11-7-8-11/h11,15H,5-8,10H2,1-4H3
InChIKeyBMWMNKMREDQJEG-UHFFFAOYSA-N
XLogP2.47
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(ethylamino)-3-(2-methylbutan-2-yloxy)propanenitrile?
The IUPAC name of 2-cyclopropyl-2-(ethylamino)-3-(2-methylbutan-2-yloxy)propanenitrile (CID 63907329) is 2-cyclopropyl-2-(ethylamino)-3-(2-methylbutan-2-yloxy)propanenitrile.
What is the SMILES notation for 2-cyclopropyl-2-(ethylamino)-3-(2-methylbutan-2-yloxy)propanenitrile?
The canonical SMILES for 2-cyclopropyl-2-(ethylamino)-3-(2-methylbutan-2-yloxy)propanenitrile is CCNC(C#N)(COC(C)(C)CC)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-(ethylamino)-3-(2-methylbutan-2-yloxy)propanenitrile?
The InChIKey is BMWMNKMREDQJEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-5-12(3,4)16-10-13(9-14,15-6-2)11-7-8-11/h11,15H,5-8,10H2,1-4H3.
What are the key properties of 2-cyclopropyl-2-(ethylamino)-3-(2-methylbutan-2-yloxy)propanenitrile?
2-cyclopropyl-2-(ethylamino)-3-(2-methylbutan-2-yloxy)propanenitrile has a molecular weight of 224.35 g/mol, XLogP of 2.47, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(ethylamino)-3-(2-methylbutan-2-yloxy)propanenitrile is sourced from PubChem (CID 63907329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).