2-methyl-4-(2-propan-2-yloxyethoxy)-2-(propylamino)pentanenitrile

C14H28N2O2 — CID 64726379

IUPAC2-methyl-4-(2-propan-2-yloxyethoxy)-2-(propylamino)pentanenitrile
SMILESCCCNC(C)(C#N)CC(C)OCCOC(C)C
InChIInChI=1S/C14H28N2O2/c1-6-7-16-14(5,11-15)10-13(4)18-9-8-17-12(2)3/h12-13,16H,6-10H2,1-5H3
InChIKeyUMOXIIRIFXUMEO-UHFFFAOYSA-N
MW256.39 g/mol
LogP2.49
Rot. Bonds10

About 2-methyl-4-(2-propan-2-yloxyethoxy)-2-(propylamino)pentanenitrile

2-methyl-4-(2-propan-2-yloxyethoxy)-2-(propylamino)pentanenitrile (PubChem CID 64726379) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 2-methyl-4-(2-propan-2-yloxyethoxy)-2-(propylamino)pentanenitrile.

Molecular Properties

Compound Name2-methyl-4-(2-propan-2-yloxyethoxy)-2-(propylamino)pentanenitrile
PubChem CID64726379
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name2-methyl-4-(2-propan-2-yloxyethoxy)-2-(propylamino)pentanenitrile
SMILESCCCNC(C)(C#N)CC(C)OCCOC(C)C
InChIInChI=1S/C14H28N2O2/c1-6-7-16-14(5,11-15)10-13(4)18-9-8-17-12(2)3/h12-13,16H,6-10H2,1-5H3
InChIKeyUMOXIIRIFXUMEO-UHFFFAOYSA-N
XLogP2.49
TPSA54.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-methyl-4-(2-propan-2-yloxyethoxy)-2-(propylamino)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-methyl-4-(2-propan-2-yloxyethoxy)-2-(propylamino)pentanenitrile?
The IUPAC name of 2-methyl-4-(2-propan-2-yloxyethoxy)-2-(propylamino)pentanenitrile (CID 64726379) is 2-methyl-4-(2-propan-2-yloxyethoxy)-2-(propylamino)pentanenitrile.
What is the SMILES notation for 2-methyl-4-(2-propan-2-yloxyethoxy)-2-(propylamino)pentanenitrile?
The canonical SMILES for 2-methyl-4-(2-propan-2-yloxyethoxy)-2-(propylamino)pentanenitrile is CCCNC(C)(C#N)CC(C)OCCOC(C)C.
What is the InChIKey of 2-methyl-4-(2-propan-2-yloxyethoxy)-2-(propylamino)pentanenitrile?
The InChIKey is UMOXIIRIFXUMEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-6-7-16-14(5,11-15)10-13(4)18-9-8-17-12(2)3/h12-13,16H,6-10H2,1-5H3.
What are the key properties of 2-methyl-4-(2-propan-2-yloxyethoxy)-2-(propylamino)pentanenitrile?
2-methyl-4-(2-propan-2-yloxyethoxy)-2-(propylamino)pentanenitrile has a molecular weight of 256.39 g/mol, XLogP of 2.49, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(2-propan-2-yloxyethoxy)-2-(propylamino)pentanenitrile is sourced from PubChem (CID 64726379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).