2-ethyl-2-(methylamino)-5-(4-propoxyphenoxy)pentanenitrile

C17H26N2O2 — CID 106804620

IUPAC2-ethyl-2-(methylamino)-5-(4-propoxyphenoxy)pentanenitrile
SMILESCCCOc1ccc(OCCCC(C#N)(CC)NC)cc1
InChIInChI=1S/C17H26N2O2/c1-4-12-20-15-7-9-16(10-8-15)21-13-6-11-17(5-2,14-18)19-3/h7-10,19H,4-6,11-13H2,1-3H3
InChIKeyCMJGSXRNXMMNBU-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.53
Rot. Bonds10

About 2-ethyl-2-(methylamino)-5-(4-propoxyphenoxy)pentanenitrile

2-ethyl-2-(methylamino)-5-(4-propoxyphenoxy)pentanenitrile (PubChem CID 106804620) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-ethyl-2-(methylamino)-5-(4-propoxyphenoxy)pentanenitrile.

Molecular Properties

Compound Name2-ethyl-2-(methylamino)-5-(4-propoxyphenoxy)pentanenitrile
PubChem CID106804620
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name2-ethyl-2-(methylamino)-5-(4-propoxyphenoxy)pentanenitrile
SMILESCCCOc1ccc(OCCCC(C#N)(CC)NC)cc1
InChIInChI=1S/C17H26N2O2/c1-4-12-20-15-7-9-16(10-8-15)21-13-6-11-17(5-2,14-18)19-3/h7-10,19H,4-6,11-13H2,1-3H3
InChIKeyCMJGSXRNXMMNBU-UHFFFAOYSA-N
XLogP3.53
TPSA54.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-ethyl-2-(methylamino)-5-(4-methylsulfonylphenoxy)pentanenitrile
CID 106804660
5-(4-butan-2-ylphenoxy)-2-ethyl-2-(methylamino)pentanenitrile
CID 107667825
5-(3-tert-butylphenoxy)-2-ethyl-2-(methylamino)pentanenitrile
CID 106804633
5-(1,3-benzodioxol-5-yloxy)-2-ethyl-2-(methylamino)pentanenitrile
CID 106804442
5-(4-ethoxyphenoxy)-2-ethyl-2-(ethylamino)pentanenitrile
CID 106804498
5-(2-ethoxyphenoxy)-2-ethyl-2-(methylamino)pentanenitrile
CID 106804515
2-ethyl-2-(methylamino)-5-(2,3,5,6-tetrafluorophenoxy)pentanenitrile
CID 106804976
5-(2,3-dimethylphenoxy)-2-ethyl-2-(methylamino)pentanenitrile
CID 106804519
2-ethyl-5-phenoxy-2-(propan-2-ylamino)pentanenitrile
CID 106804585
5-(2-ethoxyethoxy)-2-ethyl-2-(methylamino)pentanenitrile
CID 106804379
2-ethyl-5-(3-methoxyphenoxy)-2-(propylamino)pentanenitrile
CID 106804523
2-ethyl-2-(methylamino)-5-(4-methyl-2-nitrophenoxy)pentanenitrile
CID 106804713

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(methylamino)-5-(4-propoxyphenoxy)pentanenitrile?
The IUPAC name of 2-ethyl-2-(methylamino)-5-(4-propoxyphenoxy)pentanenitrile (CID 106804620) is 2-ethyl-2-(methylamino)-5-(4-propoxyphenoxy)pentanenitrile.
What is the SMILES notation for 2-ethyl-2-(methylamino)-5-(4-propoxyphenoxy)pentanenitrile?
The canonical SMILES for 2-ethyl-2-(methylamino)-5-(4-propoxyphenoxy)pentanenitrile is CCCOc1ccc(OCCCC(C#N)(CC)NC)cc1.
What is the InChIKey of 2-ethyl-2-(methylamino)-5-(4-propoxyphenoxy)pentanenitrile?
The InChIKey is CMJGSXRNXMMNBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-4-12-20-15-7-9-16(10-8-15)21-13-6-11-17(5-2,14-18)19-3/h7-10,19H,4-6,11-13H2,1-3H3.
What are the key properties of 2-ethyl-2-(methylamino)-5-(4-propoxyphenoxy)pentanenitrile?
2-ethyl-2-(methylamino)-5-(4-propoxyphenoxy)pentanenitrile has a molecular weight of 290.41 g/mol, XLogP of 3.53, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(methylamino)-5-(4-propoxyphenoxy)pentanenitrile is sourced from PubChem (CID 106804620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).