2-(cyclopropylamino)-2-methyl-4-(4-propylphenoxy)butanenitrile

C17H24N2O — CID 62549087

IUPAC2-(cyclopropylamino)-2-methyl-4-(4-propylphenoxy)butanenitrile
SMILESCCCc1ccc(OCCC(C)(C#N)NC2CC2)cc1
InChIInChI=1S/C17H24N2O/c1-3-4-14-5-9-16(10-6-14)20-12-11-17(2,13-18)19-15-7-8-15/h5-6,9-10,15,19H,3-4,7-8,11-12H2,1-2H3
InChIKeyXUZRTZBWRZVRRK-UHFFFAOYSA-N
MW272.39 g/mol
LogP3.44
Rot. Bonds8

About 2-(cyclopropylamino)-2-methyl-4-(4-propylphenoxy)butanenitrile

2-(cyclopropylamino)-2-methyl-4-(4-propylphenoxy)butanenitrile (PubChem CID 62549087) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 2-(cyclopropylamino)-2-methyl-4-(4-propylphenoxy)butanenitrile.

Molecular Properties

Compound Name2-(cyclopropylamino)-2-methyl-4-(4-propylphenoxy)butanenitrile
PubChem CID62549087
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name2-(cyclopropylamino)-2-methyl-4-(4-propylphenoxy)butanenitrile
SMILESCCCc1ccc(OCCC(C)(C#N)NC2CC2)cc1
InChIInChI=1S/C17H24N2O/c1-3-4-14-5-9-16(10-6-14)20-12-11-17(2,13-18)19-15-7-8-15/h5-6,9-10,15,19H,3-4,7-8,11-12H2,1-2H3
InChIKeyXUZRTZBWRZVRRK-UHFFFAOYSA-N
XLogP3.44
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-butan-2-ylphenoxy)-2-(cyclopropylamino)-2-methylbutanenitrile
CID 107667842
2,2-dimethyl-4-(4-propylphenoxy)butanenitrile
CID 65256549
2-(ethylamino)-2-methyl-6-(4-propylphenoxy)hexanenitrile
CID 62548403
2,2-dimethyl-5-(4-propylphenoxy)pentanenitrile
CID 65257814
2-amino-2-methyl-6-(4-propylphenoxy)hexanenitrile
CID 55085639
4-[4-(2-hydroxyethyl)phenoxy]-2-methyl-2-(propan-2-ylamino)butanenitrile
CID 107709829
2-(cyclopropylamino)-4-(2-cyclopropylethoxy)-2-methylbutanenitrile
CID 106204139
4-[4-(2-aminoethyl)phenoxy]-2,2-dimethylbutanenitrile
CID 65251071
N-(cyclopropylmethyl)-2-(4-propylphenoxy)ethanamine
CID 62583832
3-(4-butylphenoxy)-2-methyl-2-(methylamino)propanenitrile
CID 113322741
2-(cyclopropylamino)-4-(4-methoxyphenoxy)-2-methylpentanenitrile
CID 64727208
2-(cyclopropylamino)-3-(4-ethyl-2-methoxyphenoxy)-2-methylpropanenitrile
CID 107667870

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-2-methyl-4-(4-propylphenoxy)butanenitrile?
The IUPAC name of 2-(cyclopropylamino)-2-methyl-4-(4-propylphenoxy)butanenitrile (CID 62549087) is 2-(cyclopropylamino)-2-methyl-4-(4-propylphenoxy)butanenitrile.
What is the SMILES notation for 2-(cyclopropylamino)-2-methyl-4-(4-propylphenoxy)butanenitrile?
The canonical SMILES for 2-(cyclopropylamino)-2-methyl-4-(4-propylphenoxy)butanenitrile is CCCc1ccc(OCCC(C)(C#N)NC2CC2)cc1.
What is the InChIKey of 2-(cyclopropylamino)-2-methyl-4-(4-propylphenoxy)butanenitrile?
The InChIKey is XUZRTZBWRZVRRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-3-4-14-5-9-16(10-6-14)20-12-11-17(2,13-18)19-15-7-8-15/h5-6,9-10,15,19H,3-4,7-8,11-12H2,1-2H3.
What are the key properties of 2-(cyclopropylamino)-2-methyl-4-(4-propylphenoxy)butanenitrile?
2-(cyclopropylamino)-2-methyl-4-(4-propylphenoxy)butanenitrile has a molecular weight of 272.39 g/mol, XLogP of 3.44, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-2-methyl-4-(4-propylphenoxy)butanenitrile is sourced from PubChem (CID 62549087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).