2-(ethylamino)-2-methyl-4-(4-propylphenoxy)pentanenitrile

C17H26N2O — CID 64727839

IUPAC2-(ethylamino)-2-methyl-4-(4-propylphenoxy)pentanenitrile
SMILESCCCc1ccc(OC(C)CC(C)(C#N)NCC)cc1
InChIInChI=1S/C17H26N2O/c1-5-7-15-8-10-16(11-9-15)20-14(3)12-17(4,13-18)19-6-2/h8-11,14,19H,5-7,12H2,1-4H3
InChIKeyQJSNKFQXTXOGBP-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.69
Rot. Bonds8

About 2-(ethylamino)-2-methyl-4-(4-propylphenoxy)pentanenitrile

2-(ethylamino)-2-methyl-4-(4-propylphenoxy)pentanenitrile (PubChem CID 64727839) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 2-(ethylamino)-2-methyl-4-(4-propylphenoxy)pentanenitrile.

Molecular Properties

Compound Name2-(ethylamino)-2-methyl-4-(4-propylphenoxy)pentanenitrile
PubChem CID64727839
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name2-(ethylamino)-2-methyl-4-(4-propylphenoxy)pentanenitrile
SMILESCCCc1ccc(OC(C)CC(C)(C#N)NCC)cc1
InChIInChI=1S/C17H26N2O/c1-5-7-15-8-10-16(11-9-15)20-14(3)12-17(4,13-18)19-6-2/h8-11,14,19H,5-7,12H2,1-4H3
InChIKeyQJSNKFQXTXOGBP-UHFFFAOYSA-N
XLogP3.69
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(ethylamino)-2-methyl-4-(4-propylphenoxy)pentanenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-2-methyl-4-(4-propylphenoxy)pentanenitrile?
The IUPAC name of 2-(ethylamino)-2-methyl-4-(4-propylphenoxy)pentanenitrile (CID 64727839) is 2-(ethylamino)-2-methyl-4-(4-propylphenoxy)pentanenitrile.
What is the SMILES notation for 2-(ethylamino)-2-methyl-4-(4-propylphenoxy)pentanenitrile?
The canonical SMILES for 2-(ethylamino)-2-methyl-4-(4-propylphenoxy)pentanenitrile is CCCc1ccc(OC(C)CC(C)(C#N)NCC)cc1.
What is the InChIKey of 2-(ethylamino)-2-methyl-4-(4-propylphenoxy)pentanenitrile?
The InChIKey is QJSNKFQXTXOGBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-5-7-15-8-10-16(11-9-15)20-14(3)12-17(4,13-18)19-6-2/h8-11,14,19H,5-7,12H2,1-4H3.
What are the key properties of 2-(ethylamino)-2-methyl-4-(4-propylphenoxy)pentanenitrile?
2-(ethylamino)-2-methyl-4-(4-propylphenoxy)pentanenitrile has a molecular weight of 274.41 g/mol, XLogP of 3.69, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-2-methyl-4-(4-propylphenoxy)pentanenitrile is sourced from PubChem (CID 64727839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).