3-[2-(dimethylamino)ethyl-propylamino]-2-phenylpropanenitrile

C16H25N3 — CID 64536346

IUPAC3-[2-(dimethylamino)ethyl-propylamino]-2-phenylpropanenitrile
SMILESCCCN(CCN(C)C)CC(C#N)c1ccccc1
InChIInChI=1S/C16H25N3/c1-4-10-19(12-11-18(2)3)14-16(13-17)15-8-6-5-7-9-15/h5-9,16H,4,10-12,14H2,1-3H3
InChIKeyYPZPGKCLAROCSO-UHFFFAOYSA-N
MW259.40 g/mol
LogP2.57
Rot. Bonds8

About 3-[2-(dimethylamino)ethyl-propylamino]-2-phenylpropanenitrile

3-[2-(dimethylamino)ethyl-propylamino]-2-phenylpropanenitrile (PubChem CID 64536346) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is 3-[2-(dimethylamino)ethyl-propylamino]-2-phenylpropanenitrile.

Molecular Properties

Compound Name3-[2-(dimethylamino)ethyl-propylamino]-2-phenylpropanenitrile
PubChem CID64536346
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC Name3-[2-(dimethylamino)ethyl-propylamino]-2-phenylpropanenitrile
SMILESCCCN(CCN(C)C)CC(C#N)c1ccccc1
InChIInChI=1S/C16H25N3/c1-4-10-19(12-11-18(2)3)14-16(13-17)15-8-6-5-7-9-15/h5-9,16H,4,10-12,14H2,1-3H3
InChIKeyYPZPGKCLAROCSO-UHFFFAOYSA-N
XLogP2.57
TPSA30.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2-phenylpropanenitrile
CID 64538576
3-[butyl(2-hydroxyethyl)amino]-2-phenylpropanenitrile
CID 64537660
2-phenyl-3-[propan-2-yl(propyl)amino]propanenitrile
CID 64538362
3-[butan-2-yl(methyl)amino]-2-phenylpropanenitrile
CID 64538564
ethane;2-phenylbutanenitrile
CID 91343198
3-(N,4-dimethylanilino)-2-phenylpropanenitrile
CID 64536950
N-(2-methoxy-2-phenylethyl)-N-propylpropan-1-amine
CID 3057528
N-butyl-3-cyano-N-methyl-3-phenylpropanamide
CID 112511367
3-[N-(2-cyanoethyl)anilino]-2-phenylpropanenitrile
CID 64537136
3-(dimethylamino)-2-(4-propan-2-ylphenyl)propanenitrile
CID 82078866
3-(2-methoxy-N-methylanilino)-2-phenylpropanenitrile
CID 64536348
3-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-2-phenylpropanenitrile
CID 64538244

Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylamino)ethyl-propylamino]-2-phenylpropanenitrile?
The IUPAC name of 3-[2-(dimethylamino)ethyl-propylamino]-2-phenylpropanenitrile (CID 64536346) is 3-[2-(dimethylamino)ethyl-propylamino]-2-phenylpropanenitrile.
What is the SMILES notation for 3-[2-(dimethylamino)ethyl-propylamino]-2-phenylpropanenitrile?
The canonical SMILES for 3-[2-(dimethylamino)ethyl-propylamino]-2-phenylpropanenitrile is CCCN(CCN(C)C)CC(C#N)c1ccccc1.
What is the InChIKey of 3-[2-(dimethylamino)ethyl-propylamino]-2-phenylpropanenitrile?
The InChIKey is YPZPGKCLAROCSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c1-4-10-19(12-11-18(2)3)14-16(13-17)15-8-6-5-7-9-15/h5-9,16H,4,10-12,14H2,1-3H3.
What are the key properties of 3-[2-(dimethylamino)ethyl-propylamino]-2-phenylpropanenitrile?
3-[2-(dimethylamino)ethyl-propylamino]-2-phenylpropanenitrile has a molecular weight of 259.40 g/mol, XLogP of 2.57, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethylamino)ethyl-propylamino]-2-phenylpropanenitrile is sourced from PubChem (CID 64536346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).