2-amino-2-ethyl-5-(N,2,4-trimethylanilino)pentanenitrile

C16H25N3 — CID 106803450

IUPAC2-amino-2-ethyl-5-(N,2,4-trimethylanilino)pentanenitrile
SMILESCCC(N)(C#N)CCCN(C)c1ccc(C)cc1C
InChIInChI=1S/C16H25N3/c1-5-16(18,12-17)9-6-10-19(4)15-8-7-13(2)11-14(15)3/h7-8,11H,5-6,9-10,18H2,1-4H3
InChIKeyLSWTWNHBVFDWTM-UHFFFAOYSA-N
MW259.40 g/mol
LogP3.15
Rot. Bonds6

About 2-amino-2-ethyl-5-(N,2,4-trimethylanilino)pentanenitrile

2-amino-2-ethyl-5-(N,2,4-trimethylanilino)pentanenitrile (PubChem CID 106803450) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is 2-amino-2-ethyl-5-(N,2,4-trimethylanilino)pentanenitrile.

Molecular Properties

Compound Name2-amino-2-ethyl-5-(N,2,4-trimethylanilino)pentanenitrile
PubChem CID106803450
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC Name2-amino-2-ethyl-5-(N,2,4-trimethylanilino)pentanenitrile
SMILESCCC(N)(C#N)CCCN(C)c1ccc(C)cc1C
InChIInChI=1S/C16H25N3/c1-5-16(18,12-17)9-6-10-19(4)15-8-7-13(2)11-14(15)3/h7-8,11H,5-6,9-10,18H2,1-4H3
InChIKeyLSWTWNHBVFDWTM-UHFFFAOYSA-N
XLogP3.15
TPSA53.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-ethyl-5-(N,2,4-trimethylanilino)pentan-1-ol
CID 106808963
2-amino-2-ethyl-5-(3-methoxy-N-methylanilino)pentanenitrile
CID 106803438
N,2,4-trimethyl-N-pent-4-ynylaniline
CID 115872858
2-amino-2-ethyl-5-(2-fluoro-5-methylphenoxy)pentanenitrile
CID 106804842
5-(N,4-dimethylanilino)-2-ethyl-2-(methylamino)pentanenitrile
CID 106803471
2-amino-2-ethyl-5-[methyl(4-methylpentan-2-yl)amino]pentanenitrile
CID 106803332
2-[3-(dimethylamino)propyl-methylamino]-5-methylbenzonitrile
CID 107927497
2-amino-2-ethyl-5-[methyl(pentan-2-yl)amino]pentanenitrile
CID 106803086
1-N-(2,4-dimethylphenyl)-1-N,2,2-trimethylbutane-1,3-diamine
CID 66452350
2-amino-2-ethyl-5-[(4-ethylcyclohexyl)-methylamino]pentanenitrile
CID 106803367
N-(3,3-diethoxypropyl)-N,2,4-trimethylaniline
CID 55248017
N-cyclopentyl-N'-(2,4-dimethylphenyl)-N'-methylpropane-1,3-diamine
CID 62563445

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-ethyl-5-(N,2,4-trimethylanilino)pentanenitrile?
The IUPAC name of 2-amino-2-ethyl-5-(N,2,4-trimethylanilino)pentanenitrile (CID 106803450) is 2-amino-2-ethyl-5-(N,2,4-trimethylanilino)pentanenitrile.
What is the SMILES notation for 2-amino-2-ethyl-5-(N,2,4-trimethylanilino)pentanenitrile?
The canonical SMILES for 2-amino-2-ethyl-5-(N,2,4-trimethylanilino)pentanenitrile is CCC(N)(C#N)CCCN(C)c1ccc(C)cc1C.
What is the InChIKey of 2-amino-2-ethyl-5-(N,2,4-trimethylanilino)pentanenitrile?
The InChIKey is LSWTWNHBVFDWTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c1-5-16(18,12-17)9-6-10-19(4)15-8-7-13(2)11-14(15)3/h7-8,11H,5-6,9-10,18H2,1-4H3.
What are the key properties of 2-amino-2-ethyl-5-(N,2,4-trimethylanilino)pentanenitrile?
2-amino-2-ethyl-5-(N,2,4-trimethylanilino)pentanenitrile has a molecular weight of 259.40 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-ethyl-5-(N,2,4-trimethylanilino)pentanenitrile is sourced from PubChem (CID 106803450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).