2-cyclopropyl-3-(2-methoxy-N-methylanilino)-2-(propylamino)propanenitrile

C17H25N3O — CID 63914238

IUPAC2-cyclopropyl-3-(2-methoxy-N-methylanilino)-2-(propylamino)propanenitrile
SMILESCCCNC(C#N)(CN(C)c1ccccc1OC)C1CC1
InChIInChI=1S/C17H25N3O/c1-4-11-19-17(12-18,14-9-10-14)13-20(2)15-7-5-6-8-16(15)21-3/h5-8,14,19H,4,9-11,13H2,1-3H3
InChIKeyHIHUIDRNYGFNPI-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.80
Rot. Bonds8

About 2-cyclopropyl-3-(2-methoxy-N-methylanilino)-2-(propylamino)propanenitrile

2-cyclopropyl-3-(2-methoxy-N-methylanilino)-2-(propylamino)propanenitrile (PubChem CID 63914238) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 2-cyclopropyl-3-(2-methoxy-N-methylanilino)-2-(propylamino)propanenitrile.

Molecular Properties

Compound Name2-cyclopropyl-3-(2-methoxy-N-methylanilino)-2-(propylamino)propanenitrile
PubChem CID63914238
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name2-cyclopropyl-3-(2-methoxy-N-methylanilino)-2-(propylamino)propanenitrile
SMILESCCCNC(C#N)(CN(C)c1ccccc1OC)C1CC1
InChIInChI=1S/C17H25N3O/c1-4-11-19-17(12-18,14-9-10-14)13-20(2)15-7-5-6-8-16(15)21-3/h5-8,14,19H,4,9-11,13H2,1-3H3
InChIKeyHIHUIDRNYGFNPI-UHFFFAOYSA-N
XLogP2.80
TPSA48.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-(2-methoxy-N-methylanilino)-2-(propylamino)propanenitrile?
The IUPAC name of 2-cyclopropyl-3-(2-methoxy-N-methylanilino)-2-(propylamino)propanenitrile (CID 63914238) is 2-cyclopropyl-3-(2-methoxy-N-methylanilino)-2-(propylamino)propanenitrile.
What is the SMILES notation for 2-cyclopropyl-3-(2-methoxy-N-methylanilino)-2-(propylamino)propanenitrile?
The canonical SMILES for 2-cyclopropyl-3-(2-methoxy-N-methylanilino)-2-(propylamino)propanenitrile is CCCNC(C#N)(CN(C)c1ccccc1OC)C1CC1.
What is the InChIKey of 2-cyclopropyl-3-(2-methoxy-N-methylanilino)-2-(propylamino)propanenitrile?
The InChIKey is HIHUIDRNYGFNPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-4-11-19-17(12-18,14-9-10-14)13-20(2)15-7-5-6-8-16(15)21-3/h5-8,14,19H,4,9-11,13H2,1-3H3.
What are the key properties of 2-cyclopropyl-3-(2-methoxy-N-methylanilino)-2-(propylamino)propanenitrile?
2-cyclopropyl-3-(2-methoxy-N-methylanilino)-2-(propylamino)propanenitrile has a molecular weight of 287.41 g/mol, XLogP of 2.80, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-(2-methoxy-N-methylanilino)-2-(propylamino)propanenitrile is sourced from PubChem (CID 63914238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).