4-[ethyl(methyl)amino]-2-phenyl-2-(propylamino)butanenitrile

C16H25N3 — CID 116692371

IUPAC4-[ethyl(methyl)amino]-2-phenyl-2-(propylamino)butanenitrile
SMILESCCCNC(C#N)(CCN(C)CC)c1ccccc1
InChIInChI=1S/C16H25N3/c1-4-12-18-16(14-17,11-13-19(3)5-2)15-9-7-6-8-10-15/h6-10,18H,4-5,11-13H2,1-3H3
InChIKeyCAFMUOSIBFFUMM-UHFFFAOYSA-N
MW259.40 g/mol
LogP2.75
Rot. Bonds8

About 4-[ethyl(methyl)amino]-2-phenyl-2-(propylamino)butanenitrile

4-[ethyl(methyl)amino]-2-phenyl-2-(propylamino)butanenitrile (PubChem CID 116692371) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is 4-[ethyl(methyl)amino]-2-phenyl-2-(propylamino)butanenitrile.

Molecular Properties

Compound Name4-[ethyl(methyl)amino]-2-phenyl-2-(propylamino)butanenitrile
PubChem CID116692371
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC Name4-[ethyl(methyl)amino]-2-phenyl-2-(propylamino)butanenitrile
SMILESCCCNC(C#N)(CCN(C)CC)c1ccccc1
InChIInChI=1S/C16H25N3/c1-4-12-18-16(14-17,11-13-19(3)5-2)15-9-7-6-8-10-15/h6-10,18H,4-5,11-13H2,1-3H3
InChIKeyCAFMUOSIBFFUMM-UHFFFAOYSA-N
XLogP2.75
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2,2-difluoroethyl(methyl)amino]-2-phenyl-2-(propylamino)butanenitrile
CID 116692672
4-[methyl(propan-2-yl)amino]-2-phenyl-2-(propylamino)butanenitrile
CID 116692325
4-(2-ethoxyethoxy)-2-phenyl-2-(propylamino)butanenitrile
CID 116692830
2-phenyl-2-(propylamino)-4-pyrazol-1-ylbutanenitrile
CID 116692705
3-[cyclopropylmethyl(ethyl)amino]-2-phenyl-2-(propylamino)propanenitrile
CID 63955665
4-(1-hydroxypropan-2-ylsulfanyl)-2-phenyl-2-(propylamino)butanenitrile
CID 116693472
2-phenyl-2-(propylamino)-4-(1H-1,2,4-triazol-5-ylsulfanyl)butanenitrile
CID 116693102
3-(3-methylbutan-2-ylsulfanyl)-2-phenyl-2-(propylamino)propanenitrile
CID 107754942
2-(ethylamino)-4-[ethyl(2-methoxyethyl)amino]-2-phenylbutanenitrile
CID 116692501
3-[methyl(oxolan-3-yl)amino]-2-phenyl-2-(propylamino)propanenitrile
CID 82730933
3-(2,2-difluoroethoxy)-2-phenyl-2-(propylamino)propanenitrile
CID 82006099
2-(methylamino)-4-[methyl(2-methylsulfonylethyl)amino]-2-phenylbutanenitrile
CID 116692636

Frequently Asked Questions

What is the IUPAC name of 4-[ethyl(methyl)amino]-2-phenyl-2-(propylamino)butanenitrile?
The IUPAC name of 4-[ethyl(methyl)amino]-2-phenyl-2-(propylamino)butanenitrile (CID 116692371) is 4-[ethyl(methyl)amino]-2-phenyl-2-(propylamino)butanenitrile.
What is the SMILES notation for 4-[ethyl(methyl)amino]-2-phenyl-2-(propylamino)butanenitrile?
The canonical SMILES for 4-[ethyl(methyl)amino]-2-phenyl-2-(propylamino)butanenitrile is CCCNC(C#N)(CCN(C)CC)c1ccccc1.
What is the InChIKey of 4-[ethyl(methyl)amino]-2-phenyl-2-(propylamino)butanenitrile?
The InChIKey is CAFMUOSIBFFUMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c1-4-12-18-16(14-17,11-13-19(3)5-2)15-9-7-6-8-10-15/h6-10,18H,4-5,11-13H2,1-3H3.
What are the key properties of 4-[ethyl(methyl)amino]-2-phenyl-2-(propylamino)butanenitrile?
4-[ethyl(methyl)amino]-2-phenyl-2-(propylamino)butanenitrile has a molecular weight of 259.40 g/mol, XLogP of 2.75, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl(methyl)amino]-2-phenyl-2-(propylamino)butanenitrile is sourced from PubChem (CID 116692371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).