4-(dimethylamino)-2-[2-(dimethylamino)ethyl]-2-phenylbutanenitrile;hydrochloride

C16H26ClN3 — CID 54599725

IUPAC4-(dimethylamino)-2-[2-(dimethylamino)ethyl]-2-phenylbutanenitrile;hydrochloride
SMILESCN(C)CCC(C#N)(CCN(C)C)c1ccccc1.Cl
InChIInChI=1S/C16H25N3.ClH/c1-18(2)12-10-16(14-17,11-13-19(3)4)15-8-6-5-7-9-15;/h5-9H,10-13H2,1-4H3;1H
InChIKeyLAXFXTKAGRJXGQ-UHFFFAOYSA-N
MW295.86 g/mol
LogP2.77
Rot. Bonds7

About 4-(dimethylamino)-2-[2-(dimethylamino)ethyl]-2-phenylbutanenitrile;hydrochloride

4-(dimethylamino)-2-[2-(dimethylamino)ethyl]-2-phenylbutanenitrile;hydrochloride (PubChem CID 54599725) has the molecular formula C16H26ClN3 and a molecular weight of 295.86 g/mol. Its IUPAC name is 4-(dimethylamino)-2-[2-(dimethylamino)ethyl]-2-phenylbutanenitrile;hydrochloride.

Molecular Properties

Compound Name4-(dimethylamino)-2-[2-(dimethylamino)ethyl]-2-phenylbutanenitrile;hydrochloride
PubChem CID54599725
Molecular FormulaC16H26ClN3
Molecular Weight295.86 g/mol
Exact Mass295.18
IUPAC Name4-(dimethylamino)-2-[2-(dimethylamino)ethyl]-2-phenylbutanenitrile;hydrochloride
SMILESCN(C)CCC(C#N)(CCN(C)C)c1ccccc1.Cl
InChIInChI=1S/C16H25N3.ClH/c1-18(2)12-10-16(14-17,11-13-19(3)4)15-8-6-5-7-9-15;/h5-9H,10-13H2,1-4H3;1H
InChIKeyLAXFXTKAGRJXGQ-UHFFFAOYSA-N
XLogP2.77
TPSA30.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.86
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-(dimethylamino)-2-[2-(dimethylamino)ethyl]-2-phenylbutanenitrile;hydrochloride 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

2-[2-(dimethylamino)ethyl]-2-(4-methylphenyl)-4-phenylbutanenitrile
CID 13316566
2-phenyl-2-propylpentanenitrile
CID 12754193
2-[2-(dimethylamino)ethyl]-2-(3-methoxyphenyl)-4-phenylbutanenitrile
CID 13316584
5-[di(propan-2-yl)amino]-2-[2-[di(propan-2-yl)amino]ethyl]-2-phenylpentanenitrile
CID 21320523
2-[2-(dimethylamino)ethyl]-4-[di(propan-2-yl)amino]-2-(4-fluorophenyl)butanenitrile
CID 12612268
2-(2-chlorophenyl)-2-[2-(dimethylamino)ethyl]-4-phenylbutanenitrile
CID 13316570
(2R)-2-[2-(dimethylamino)ethyl]-2-naphthalen-1-ylpentanenitrile
CID 125482749
2-ethyl-2-phenyl-4-triphenylsilylbutanenitrile
CID 101138929
4-cyano-4-phenylheptanoic acid
CID 13260830
3-ethyl-N,N-dimethyl-3-phenylpent-4-en-1-amine
CID 132503899
2-butyl-2-phenylhex-5-enenitrile
CID 68827798
2-phenyl-2-prop-2-enylpent-4-enenitrile
CID 10442696

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-2-[2-(dimethylamino)ethyl]-2-phenylbutanenitrile;hydrochloride?
The IUPAC name of 4-(dimethylamino)-2-[2-(dimethylamino)ethyl]-2-phenylbutanenitrile;hydrochloride (CID 54599725) is 4-(dimethylamino)-2-[2-(dimethylamino)ethyl]-2-phenylbutanenitrile;hydrochloride.
What is the SMILES notation for 4-(dimethylamino)-2-[2-(dimethylamino)ethyl]-2-phenylbutanenitrile;hydrochloride?
The canonical SMILES for 4-(dimethylamino)-2-[2-(dimethylamino)ethyl]-2-phenylbutanenitrile;hydrochloride is CN(C)CCC(C#N)(CCN(C)C)c1ccccc1.Cl.
What is the InChIKey of 4-(dimethylamino)-2-[2-(dimethylamino)ethyl]-2-phenylbutanenitrile;hydrochloride?
The InChIKey is LAXFXTKAGRJXGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3.ClH/c1-18(2)12-10-16(14-17,11-13-19(3)4)15-8-6-5-7-9-15;/h5-9H,10-13H2,1-4H3;1H.
What are the key properties of 4-(dimethylamino)-2-[2-(dimethylamino)ethyl]-2-phenylbutanenitrile;hydrochloride?
4-(dimethylamino)-2-[2-(dimethylamino)ethyl]-2-phenylbutanenitrile;hydrochloride has a molecular weight of 295.86 g/mol, XLogP of 2.77, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-2-[2-(dimethylamino)ethyl]-2-phenylbutanenitrile;hydrochloride is sourced from PubChem (CID 54599725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).