2-methyl-2-(methylamino)-4-octoxypentanenitrile

C15H30N2O — CID 64728157

IUPAC2-methyl-2-(methylamino)-4-octoxypentanenitrile
SMILESCCCCCCCCOC(C)CC(C)(C#N)NC
InChIInChI=1S/C15H30N2O/c1-5-6-7-8-9-10-11-18-14(2)12-15(3,13-16)17-4/h14,17H,5-12H2,1-4H3
InChIKeyCTUKMCTUFAIDJO-UHFFFAOYSA-N
MW254.42 g/mol
LogP3.64
Rot. Bonds11

About 2-methyl-2-(methylamino)-4-octoxypentanenitrile

2-methyl-2-(methylamino)-4-octoxypentanenitrile (PubChem CID 64728157) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 2-methyl-2-(methylamino)-4-octoxypentanenitrile.

Molecular Properties

Compound Name2-methyl-2-(methylamino)-4-octoxypentanenitrile
PubChem CID64728157
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name2-methyl-2-(methylamino)-4-octoxypentanenitrile
SMILESCCCCCCCCOC(C)CC(C)(C#N)NC
InChIInChI=1S/C15H30N2O/c1-5-6-7-8-9-10-11-18-14(2)12-15(3,13-16)17-4/h14,17H,5-12H2,1-4H3
InChIKeyCTUKMCTUFAIDJO-UHFFFAOYSA-N
XLogP3.64
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-methyl-2-(methylamino)-4-octoxypentanenitrile with MolForge

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

Launch Full Analysis

Related Compounds

4-(2-ethylhexoxy)-2-methyl-2-(methylamino)pentanenitrile
CID 64727764
2-methyl-2-(methylamino)-4-octoxypentanoic acid
CID 64709002
2-methyl-2-(methylamino)-4-[methyl(pentyl)amino]pentanenitrile
CID 64726076
2-methyl-4-(2-propan-2-yloxyethoxy)-2-(propylamino)pentanenitrile
CID 64726379
2-(cyclopropylamino)-2-methyl-4-propoxypentanenitrile
CID 64726414
2-methyl-4-(2-propoxyethoxy)-2-(propylamino)pentanenitrile
CID 64728036
2-(cyclopropylamino)-4-heptoxy-2-methylpentan-1-ol
CID 64802111
2-methyl-4-octoxy-2-(propylamino)pentan-1-ol
CID 64809987
2-methyl-2-(methylamino)-4-[methyl(propyl)amino]pentanenitrile
CID 64727068
2-(ethylamino)-2-methyl-4-pentoxypentan-1-ol
CID 64807509
1-hexan-2-yloxydecane
CID 57029724
1-octan-2-yloxydecane
CID 86220707

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(methylamino)-4-octoxypentanenitrile?
The IUPAC name of 2-methyl-2-(methylamino)-4-octoxypentanenitrile (CID 64728157) is 2-methyl-2-(methylamino)-4-octoxypentanenitrile.
What is the SMILES notation for 2-methyl-2-(methylamino)-4-octoxypentanenitrile?
The canonical SMILES for 2-methyl-2-(methylamino)-4-octoxypentanenitrile is CCCCCCCCOC(C)CC(C)(C#N)NC.
What is the InChIKey of 2-methyl-2-(methylamino)-4-octoxypentanenitrile?
The InChIKey is CTUKMCTUFAIDJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-5-6-7-8-9-10-11-18-14(2)12-15(3,13-16)17-4/h14,17H,5-12H2,1-4H3.
What are the key properties of 2-methyl-2-(methylamino)-4-octoxypentanenitrile?
2-methyl-2-(methylamino)-4-octoxypentanenitrile has a molecular weight of 254.42 g/mol, XLogP of 3.64, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(methylamino)-4-octoxypentanenitrile is sourced from PubChem (CID 64728157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).