3-(2-cyclopropylethoxy)-2-phenyl-2-(propylamino)propanenitrile

C17H24N2O — CID 106204090

IUPAC3-(2-cyclopropylethoxy)-2-phenyl-2-(propylamino)propanenitrile
SMILESCCCNC(C#N)(COCCC1CC1)c1ccccc1
InChIInChI=1S/C17H24N2O/c1-2-11-19-17(13-18,16-6-4-3-5-7-16)14-20-12-10-15-8-9-15/h3-7,15,19H,2,8-12,14H2,1H3
InChIKeyFZKCRAWHKJCUSH-UHFFFAOYSA-N
MW272.39 g/mol
LogP3.22
Rot. Bonds9

About 3-(2-cyclopropylethoxy)-2-phenyl-2-(propylamino)propanenitrile

3-(2-cyclopropylethoxy)-2-phenyl-2-(propylamino)propanenitrile (PubChem CID 106204090) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 3-(2-cyclopropylethoxy)-2-phenyl-2-(propylamino)propanenitrile.

Molecular Properties

Compound Name3-(2-cyclopropylethoxy)-2-phenyl-2-(propylamino)propanenitrile
PubChem CID106204090
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name3-(2-cyclopropylethoxy)-2-phenyl-2-(propylamino)propanenitrile
SMILESCCCNC(C#N)(COCCC1CC1)c1ccccc1
InChIInChI=1S/C17H24N2O/c1-2-11-19-17(13-18,16-6-4-3-5-7-16)14-20-12-10-15-8-9-15/h3-7,15,19H,2,8-12,14H2,1H3
InChIKeyFZKCRAWHKJCUSH-UHFFFAOYSA-N
XLogP3.22
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(2,2-difluoroethoxy)-2-phenyl-2-(propylamino)propanenitrile
CID 82006099
4-(2-ethoxyethoxy)-2-phenyl-2-(propylamino)butanenitrile
CID 116692830
2-(ethylamino)-2-phenyl-3-(2-propoxyethoxy)propanenitrile
CID 63686596
3-(2-cyclopropylethoxy)-2-phenyl-2-(propylamino)propanoic acid
CID 106204230
3-[cyclopropylmethyl(ethyl)amino]-2-phenyl-2-(propylamino)propanenitrile
CID 63955665
3-(cyclopentylmethylsulfanyl)-2-phenyl-2-(propylamino)propanenitrile
CID 63120186
3-(2-cyclobutylethoxy)-2-phenyl-2-(propylamino)propan-1-ol
CID 106206861
2-(ethylamino)-2-phenyl-3-(3,3,3-trifluoropropoxy)propanenitrile
CID 82958723
2-phenyl-2-(propan-2-ylamino)-3-(2-propoxyethoxy)propanenitrile
CID 63685486
2-(ethylamino)-4-pentoxy-2-phenylbutanenitrile
CID 116692941
2-(ethylamino)-2-phenyl-4-(2-propoxyethoxy)butanenitrile
CID 116692980
4-butoxy-2-(methylamino)-2-phenylbutanenitrile
CID 116692934

Frequently Asked Questions

What is the IUPAC name of 3-(2-cyclopropylethoxy)-2-phenyl-2-(propylamino)propanenitrile?
The IUPAC name of 3-(2-cyclopropylethoxy)-2-phenyl-2-(propylamino)propanenitrile (CID 106204090) is 3-(2-cyclopropylethoxy)-2-phenyl-2-(propylamino)propanenitrile.
What is the SMILES notation for 3-(2-cyclopropylethoxy)-2-phenyl-2-(propylamino)propanenitrile?
The canonical SMILES for 3-(2-cyclopropylethoxy)-2-phenyl-2-(propylamino)propanenitrile is CCCNC(C#N)(COCCC1CC1)c1ccccc1.
What is the InChIKey of 3-(2-cyclopropylethoxy)-2-phenyl-2-(propylamino)propanenitrile?
The InChIKey is FZKCRAWHKJCUSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-2-11-19-17(13-18,16-6-4-3-5-7-16)14-20-12-10-15-8-9-15/h3-7,15,19H,2,8-12,14H2,1H3.
What are the key properties of 3-(2-cyclopropylethoxy)-2-phenyl-2-(propylamino)propanenitrile?
3-(2-cyclopropylethoxy)-2-phenyl-2-(propylamino)propanenitrile has a molecular weight of 272.39 g/mol, XLogP of 3.22, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyclopropylethoxy)-2-phenyl-2-(propylamino)propanenitrile is sourced from PubChem (CID 106204090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).