2-cyclopropyl-3-(2-methylbutan-2-yloxy)-2-(propan-2-ylamino)propanenitrile

C14H26N2O — CID 63907749

IUPAC2-cyclopropyl-3-(2-methylbutan-2-yloxy)-2-(propan-2-ylamino)propanenitrile
SMILESCCC(C)(C)OCC(C#N)(NC(C)C)C1CC1
InChIInChI=1S/C14H26N2O/c1-6-13(4,5)17-10-14(9-15,12-7-8-12)16-11(2)3/h11-12,16H,6-8,10H2,1-5H3
InChIKeyRMDYSPXUUVZDEP-UHFFFAOYSA-N
MW238.37 g/mol
LogP2.86
Rot. Bonds7

About 2-cyclopropyl-3-(2-methylbutan-2-yloxy)-2-(propan-2-ylamino)propanenitrile

2-cyclopropyl-3-(2-methylbutan-2-yloxy)-2-(propan-2-ylamino)propanenitrile (PubChem CID 63907749) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is 2-cyclopropyl-3-(2-methylbutan-2-yloxy)-2-(propan-2-ylamino)propanenitrile.

Molecular Properties

Compound Name2-cyclopropyl-3-(2-methylbutan-2-yloxy)-2-(propan-2-ylamino)propanenitrile
PubChem CID63907749
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name2-cyclopropyl-3-(2-methylbutan-2-yloxy)-2-(propan-2-ylamino)propanenitrile
SMILESCCC(C)(C)OCC(C#N)(NC(C)C)C1CC1
InChIInChI=1S/C14H26N2O/c1-6-13(4,5)17-10-14(9-15,12-7-8-12)16-11(2)3/h11-12,16H,6-8,10H2,1-5H3
InChIKeyRMDYSPXUUVZDEP-UHFFFAOYSA-N
XLogP2.86
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-2-(cyclopropylamino)-3-(2-methylbutan-2-yloxy)propanenitrile
CID 63907748
2-cyclopropyl-3-(2,2-difluoroethoxy)-2-(propan-2-ylamino)propanenitrile
CID 82006690
2-cyclopropyl-3-(4-ethoxyphenoxy)-2-(propan-2-ylamino)propanenitrile
CID 63907770
2-cyclopropyl-3-methylsulfanyl-2-(propan-2-ylamino)propanenitrile
CID 63907007
2-cyclopropyl-3-(2,6-difluorophenoxy)-2-(propan-2-ylamino)propanenitrile
CID 81268540
2-cyclopropyl-3-(2-methylbutan-2-yloxy)-2-(propan-2-ylamino)propanamide
CID 63918574
methyl 2-cyclopropyl-3-(2-methylbutan-2-yloxy)-2-(propan-2-ylamino)propanoate
CID 63919161
3-cyclopentylsulfanyl-2-cyclopropyl-2-(propan-2-ylamino)propanenitrile
CID 63907237
2-cyclopropyl-3-(3-fluorophenoxy)-2-(propan-2-ylamino)propanenitrile
CID 63907147
2-cyclopropyl-3-(3,4-dimethylpyrrolidin-1-yl)-2-(propan-2-ylamino)propanenitrile
CID 79184760
2-cyclopropyl-3-(4-methoxypiperidin-1-yl)-2-(propan-2-ylamino)propanenitrile
CID 63912431
3-[cyclohexyl(methyl)amino]-2-cyclopropyl-2-(propan-2-ylamino)propanenitrile
CID 63913512

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-(2-methylbutan-2-yloxy)-2-(propan-2-ylamino)propanenitrile?
The IUPAC name of 2-cyclopropyl-3-(2-methylbutan-2-yloxy)-2-(propan-2-ylamino)propanenitrile (CID 63907749) is 2-cyclopropyl-3-(2-methylbutan-2-yloxy)-2-(propan-2-ylamino)propanenitrile.
What is the SMILES notation for 2-cyclopropyl-3-(2-methylbutan-2-yloxy)-2-(propan-2-ylamino)propanenitrile?
The canonical SMILES for 2-cyclopropyl-3-(2-methylbutan-2-yloxy)-2-(propan-2-ylamino)propanenitrile is CCC(C)(C)OCC(C#N)(NC(C)C)C1CC1.
What is the InChIKey of 2-cyclopropyl-3-(2-methylbutan-2-yloxy)-2-(propan-2-ylamino)propanenitrile?
The InChIKey is RMDYSPXUUVZDEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-6-13(4,5)17-10-14(9-15,12-7-8-12)16-11(2)3/h11-12,16H,6-8,10H2,1-5H3.
What are the key properties of 2-cyclopropyl-3-(2-methylbutan-2-yloxy)-2-(propan-2-ylamino)propanenitrile?
2-cyclopropyl-3-(2-methylbutan-2-yloxy)-2-(propan-2-ylamino)propanenitrile has a molecular weight of 238.37 g/mol, XLogP of 2.86, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-(2-methylbutan-2-yloxy)-2-(propan-2-ylamino)propanenitrile is sourced from PubChem (CID 63907749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).