5-(N,4-dimethylanilino)-2-ethyl-2-(methylamino)pentanenitrile

C16H25N3 — CID 106803471

IUPAC5-(N,4-dimethylanilino)-2-ethyl-2-(methylamino)pentanenitrile
SMILESCCC(C#N)(CCCN(C)c1ccc(C)cc1)NC
InChIInChI=1S/C16H25N3/c1-5-16(13-17,18-3)11-6-12-19(4)15-9-7-14(2)8-10-15/h7-10,18H,5-6,11-12H2,1-4H3
InChIKeyFJGPZYCZZMFMFK-UHFFFAOYSA-N
MW259.40 g/mol
LogP3.10
Rot. Bonds7

About 5-(N,4-dimethylanilino)-2-ethyl-2-(methylamino)pentanenitrile

5-(N,4-dimethylanilino)-2-ethyl-2-(methylamino)pentanenitrile (PubChem CID 106803471) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is 5-(N,4-dimethylanilino)-2-ethyl-2-(methylamino)pentanenitrile.

Molecular Properties

Compound Name5-(N,4-dimethylanilino)-2-ethyl-2-(methylamino)pentanenitrile
PubChem CID106803471
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC Name5-(N,4-dimethylanilino)-2-ethyl-2-(methylamino)pentanenitrile
SMILESCCC(C#N)(CCCN(C)c1ccc(C)cc1)NC
InChIInChI=1S/C16H25N3/c1-5-16(13-17,18-3)11-6-12-19(4)15-9-7-14(2)8-10-15/h7-10,18H,5-6,11-12H2,1-4H3
InChIKeyFJGPZYCZZMFMFK-UHFFFAOYSA-N
XLogP3.10
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

2-ethyl-2-(ethylamino)-5-(N,3,5-trimethylanilino)pentanenitrile
CID 106803449
2-ethyl-2-(ethylamino)-5-(N-ethyl-4-methylanilino)pentanenitrile
CID 106803455
5-(N,4-dimethylanilino)-2-methyl-2-(methylamino)pentan-1-ol
CID 64791309
N-butyl-N,4-dimethylaniline;ethane
CID 176937760
2-amino-2-ethyl-5-(N,2,4-trimethylanilino)pentanenitrile
CID 106803450
2-ethyl-2-(methylamino)-5-(3-methylphenyl)sulfanylpentanenitrile
CID 106805278
5-[1-(dimethylamino)propan-2-yl-ethylamino]-2-ethyl-2-(methylamino)pentanenitrile
CID 106804057
5-[butan-2-yl(butyl)amino]-2-ethyl-2-(methylamino)pentanenitrile
CID 106803413
N,4-dimethyl-N-propylaniline
CID 14671247
N-butyl-N-methyl-4-[2-(4-methylphenyl)ethenyl]aniline
CID 67935384
5-(4-amino-N-methylanilino)-2,2-dimethylpentanenitrile
CID 65255711
2-ethyl-2-(methylamino)butanenitrile
CID 43115036

Frequently Asked Questions

What is the IUPAC name of 5-(N,4-dimethylanilino)-2-ethyl-2-(methylamino)pentanenitrile?
The IUPAC name of 5-(N,4-dimethylanilino)-2-ethyl-2-(methylamino)pentanenitrile (CID 106803471) is 5-(N,4-dimethylanilino)-2-ethyl-2-(methylamino)pentanenitrile.
What is the SMILES notation for 5-(N,4-dimethylanilino)-2-ethyl-2-(methylamino)pentanenitrile?
The canonical SMILES for 5-(N,4-dimethylanilino)-2-ethyl-2-(methylamino)pentanenitrile is CCC(C#N)(CCCN(C)c1ccc(C)cc1)NC.
What is the InChIKey of 5-(N,4-dimethylanilino)-2-ethyl-2-(methylamino)pentanenitrile?
The InChIKey is FJGPZYCZZMFMFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c1-5-16(13-17,18-3)11-6-12-19(4)15-9-7-14(2)8-10-15/h7-10,18H,5-6,11-12H2,1-4H3.
What are the key properties of 5-(N,4-dimethylanilino)-2-ethyl-2-(methylamino)pentanenitrile?
5-(N,4-dimethylanilino)-2-ethyl-2-(methylamino)pentanenitrile has a molecular weight of 259.40 g/mol, XLogP of 3.10, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(N,4-dimethylanilino)-2-ethyl-2-(methylamino)pentanenitrile is sourced from PubChem (CID 106803471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).