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

C17H27N3 — CID 116692325

IUPAC4-[methyl(propan-2-yl)amino]-2-phenyl-2-(propylamino)butanenitrile
SMILESCCCNC(C#N)(CCN(C)C(C)C)c1ccccc1
InChIInChI=1S/C17H27N3/c1-5-12-19-17(14-18,11-13-20(4)15(2)3)16-9-7-6-8-10-16/h6-10,15,19H,5,11-13H2,1-4H3
InChIKeyNJNZOUUZBQPCJM-UHFFFAOYSA-N
MW273.42 g/mol
LogP3.14
Rot. Bonds8

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

4-[methyl(propan-2-yl)amino]-2-phenyl-2-(propylamino)butanenitrile (PubChem CID 116692325) has the molecular formula C17H27N3 and a molecular weight of 273.42 g/mol. Its IUPAC name is 4-[methyl(propan-2-yl)amino]-2-phenyl-2-(propylamino)butanenitrile.

Molecular Properties

Compound Name4-[methyl(propan-2-yl)amino]-2-phenyl-2-(propylamino)butanenitrile
PubChem CID116692325
Molecular FormulaC17H27N3
Molecular Weight273.42 g/mol
Exact Mass273.22
IUPAC Name4-[methyl(propan-2-yl)amino]-2-phenyl-2-(propylamino)butanenitrile
SMILESCCCNC(C#N)(CCN(C)C(C)C)c1ccccc1
InChIInChI=1S/C17H27N3/c1-5-12-19-17(14-18,11-13-20(4)15(2)3)16-9-7-6-8-10-16/h6-10,15,19H,5,11-13H2,1-4H3
InChIKeyNJNZOUUZBQPCJM-UHFFFAOYSA-N
XLogP3.14
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[ethyl(methyl)amino]-2-phenyl-2-(propylamino)butanenitrile
CID 116692371
4-[2,2-difluoroethyl(methyl)amino]-2-phenyl-2-(propylamino)butanenitrile
CID 116692672
4-(2-ethoxyethoxy)-2-phenyl-2-(propylamino)butanenitrile
CID 116692830
4-(1-hydroxypropan-2-ylsulfanyl)-2-phenyl-2-(propylamino)butanenitrile
CID 116693472
3-(3-methylbutan-2-ylsulfanyl)-2-phenyl-2-(propylamino)propanenitrile
CID 107754942
3-(2,2-difluoroethoxy)-2-phenyl-2-(propylamino)propanenitrile
CID 82006099
2-phenyl-2-(propylamino)-4-pyrazol-1-ylbutanenitrile
CID 116692705
3-[methyl(oxolan-3-yl)amino]-2-phenyl-2-(propylamino)propanenitrile
CID 82730933
2-(ethylamino)-4-(3-methylbutan-2-yloxy)-2-phenylbutanenitrile
CID 116693006
2-(ethylamino)-4-methoxy-2-phenylbutanenitrile
CID 116692894
2-(ethylamino)-2-phenyl-4-(2-propoxyethoxy)butanenitrile
CID 116692980
3-[cyclopropylmethyl(ethyl)amino]-2-phenyl-2-(propylamino)propanenitrile
CID 63955665

Frequently Asked Questions

What is the IUPAC name of 4-[methyl(propan-2-yl)amino]-2-phenyl-2-(propylamino)butanenitrile?
The IUPAC name of 4-[methyl(propan-2-yl)amino]-2-phenyl-2-(propylamino)butanenitrile (CID 116692325) is 4-[methyl(propan-2-yl)amino]-2-phenyl-2-(propylamino)butanenitrile.
What is the SMILES notation for 4-[methyl(propan-2-yl)amino]-2-phenyl-2-(propylamino)butanenitrile?
The canonical SMILES for 4-[methyl(propan-2-yl)amino]-2-phenyl-2-(propylamino)butanenitrile is CCCNC(C#N)(CCN(C)C(C)C)c1ccccc1.
What is the InChIKey of 4-[methyl(propan-2-yl)amino]-2-phenyl-2-(propylamino)butanenitrile?
The InChIKey is NJNZOUUZBQPCJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3/c1-5-12-19-17(14-18,11-13-20(4)15(2)3)16-9-7-6-8-10-16/h6-10,15,19H,5,11-13H2,1-4H3.
What are the key properties of 4-[methyl(propan-2-yl)amino]-2-phenyl-2-(propylamino)butanenitrile?
4-[methyl(propan-2-yl)amino]-2-phenyl-2-(propylamino)butanenitrile has a molecular weight of 273.42 g/mol, XLogP of 3.14, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(propan-2-yl)amino]-2-phenyl-2-(propylamino)butanenitrile is sourced from PubChem (CID 116692325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).