2,2-dimethyl-5-[2-[1-(methylamino)propyl]phenoxy]pentanenitrile

C17H26N2O — CID 65256837

IUPAC2,2-dimethyl-5-[2-[1-(methylamino)propyl]phenoxy]pentanenitrile
SMILESCCC(NC)c1ccccc1OCCCC(C)(C)C#N
InChIInChI=1S/C17H26N2O/c1-5-15(19-4)14-9-6-7-10-16(14)20-12-8-11-17(2,3)13-18/h6-7,9-10,15,19H,5,8,11-12H2,1-4H3
InChIKeyTVRHIVNFWMBJIM-UHFFFAOYSA-N
MW274.41 g/mol
LogP4.07
Rot. Bonds8

About 2,2-dimethyl-5-[2-[1-(methylamino)propyl]phenoxy]pentanenitrile

2,2-dimethyl-5-[2-[1-(methylamino)propyl]phenoxy]pentanenitrile (PubChem CID 65256837) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 2,2-dimethyl-5-[2-[1-(methylamino)propyl]phenoxy]pentanenitrile.

Molecular Properties

Compound Name2,2-dimethyl-5-[2-[1-(methylamino)propyl]phenoxy]pentanenitrile
PubChem CID65256837
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name2,2-dimethyl-5-[2-[1-(methylamino)propyl]phenoxy]pentanenitrile
SMILESCCC(NC)c1ccccc1OCCCC(C)(C)C#N
InChIInChI=1S/C17H26N2O/c1-5-15(19-4)14-9-6-7-10-16(14)20-12-8-11-17(2,3)13-18/h6-7,9-10,15,19H,5,8,11-12H2,1-4H3
InChIKeyTVRHIVNFWMBJIM-UHFFFAOYSA-N
XLogP4.07
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 ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2,2-dimethyl-5-[2-[1-(methylamino)propyl]phenoxy]pentanenitrile 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

5-(2-ethoxyphenoxy)-2,2-dimethylpentanenitrile
CID 65257214
6-[2-[(1R)-1-hydroxypropyl]phenoxy]-2,2-dimethylhexanenitrile
CID 106712954
1-[2-(3-methoxy-3-methylbutoxy)phenyl]-N-methylpropan-1-amine
CID 103032683
1-[2-(2-butoxyethoxy)phenyl]-N-methylpropan-1-amine
CID 61483273
1-[2-[2-(dimethylamino)ethoxy]phenyl]-N-methylpropan-1-amine
CID 43279076
1-[2-[2-(diethylamino)ethoxy]phenyl]-N-methylpropan-1-amine
CID 43279062
N-methyl-1-[2-[2-(2,2,2-trifluoroethoxy)ethoxy]phenyl]propan-1-amine
CID 61492192
N-methyl-1-[2-(2-methylsulfonylethoxy)phenyl]propan-1-amine
CID 54937325
2,2-dimethyl-6-[4-methyl-2-[1-(methylamino)ethyl]phenoxy]hexanenitrile
CID 106708794
N-methyl-1-[2-(2-methylprop-2-enoxy)phenyl]propan-1-amine
CID 60883030
6-(2-methoxyphenoxy)-2,2-dimethylhexanenitrile
CID 106710361
1-[2-(3,3-dimethylbutoxy)phenyl]-N-ethylpropan-1-amine
CID 63501142

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-5-[2-[1-(methylamino)propyl]phenoxy]pentanenitrile?
The IUPAC name of 2,2-dimethyl-5-[2-[1-(methylamino)propyl]phenoxy]pentanenitrile (CID 65256837) is 2,2-dimethyl-5-[2-[1-(methylamino)propyl]phenoxy]pentanenitrile.
What is the SMILES notation for 2,2-dimethyl-5-[2-[1-(methylamino)propyl]phenoxy]pentanenitrile?
The canonical SMILES for 2,2-dimethyl-5-[2-[1-(methylamino)propyl]phenoxy]pentanenitrile is CCC(NC)c1ccccc1OCCCC(C)(C)C#N.
What is the InChIKey of 2,2-dimethyl-5-[2-[1-(methylamino)propyl]phenoxy]pentanenitrile?
The InChIKey is TVRHIVNFWMBJIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-5-15(19-4)14-9-6-7-10-16(14)20-12-8-11-17(2,3)13-18/h6-7,9-10,15,19H,5,8,11-12H2,1-4H3.
What are the key properties of 2,2-dimethyl-5-[2-[1-(methylamino)propyl]phenoxy]pentanenitrile?
2,2-dimethyl-5-[2-[1-(methylamino)propyl]phenoxy]pentanenitrile has a molecular weight of 274.41 g/mol, XLogP of 4.07, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-5-[2-[1-(methylamino)propyl]phenoxy]pentanenitrile is sourced from PubChem (CID 65256837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).