5-[di(propan-2-yl)amino]-2-[2-[di(propan-2-yl)amino]ethyl]-2-phenylpentanenitrile

C25H43N3 — CID 21320523

IUPAC5-[di(propan-2-yl)amino]-2-[2-[di(propan-2-yl)amino]ethyl]-2-phenylpentanenitrile
SMILESCC(C)N(CCCC(C#N)(CCN(C(C)C)C(C)C)c1ccccc1)C(C)C
InChIInChI=1S/C25H43N3/c1-20(2)27(21(3)4)17-12-15-25(19-26,24-13-10-9-11-14-24)16-18-28(22(5)6)23(7)8/h9-11,13-14,20-23H,12,15-18H2,1-8H3
InChIKeyKLGYNNVADGGTAK-UHFFFAOYSA-N
MW385.64 g/mol
LogP5.86
Rot. Bonds12

About 5-[di(propan-2-yl)amino]-2-[2-[di(propan-2-yl)amino]ethyl]-2-phenylpentanenitrile

5-[di(propan-2-yl)amino]-2-[2-[di(propan-2-yl)amino]ethyl]-2-phenylpentanenitrile (PubChem CID 21320523) has the molecular formula C25H43N3 and a molecular weight of 385.64 g/mol. Its IUPAC name is 5-[di(propan-2-yl)amino]-2-[2-[di(propan-2-yl)amino]ethyl]-2-phenylpentanenitrile.

Molecular Properties

Compound Name5-[di(propan-2-yl)amino]-2-[2-[di(propan-2-yl)amino]ethyl]-2-phenylpentanenitrile
PubChem CID21320523
Molecular FormulaC25H43N3
Molecular Weight385.64 g/mol
Exact Mass385.35
IUPAC Name5-[di(propan-2-yl)amino]-2-[2-[di(propan-2-yl)amino]ethyl]-2-phenylpentanenitrile
SMILESCC(C)N(CCCC(C#N)(CCN(C(C)C)C(C)C)c1ccccc1)C(C)C
InChIInChI=1S/C25H43N3/c1-20(2)27(21(3)4)17-12-15-25(19-26,24-13-10-9-11-14-24)16-18-28(22(5)6)23(7)8/h9-11,13-14,20-23H,12,15-18H2,1-8H3
InChIKeyKLGYNNVADGGTAK-UHFFFAOYSA-N
XLogP5.86
TPSA30.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.64
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(dimethylamino)-2-[2-(dimethylamino)ethyl]-2-phenylbutanenitrile;hydrochloride
CID 54599725
2-[2-(dimethylamino)ethyl]-4-[di(propan-2-yl)amino]-2-(4-fluorophenyl)butanenitrile
CID 12612268
2-[2-[di(propan-2-yl)amino]ethyl]-2-phenyl-4-(6H-pyrrolo[1,2-a]pyrazin-2-yl)butanenitrile
CID 54286615
2-phenyl-2-propylpentanenitrile
CID 12754193
2-[2-(3-azabicyclo[3.2.2]nonan-3-yl)ethyl]-2-(4-chlorophenyl)-4-[di(propan-2-yl)amino]butanenitrile
CID 22751868
4-[di(propan-2-yl)amino]-2-[2-[di(propan-2-yl)amino]ethyl]-2-naphthalen-1-ylpentanenitrile
CID 23347233
2-butyl-2-phenylhex-5-enenitrile
CID 68827798
(2R,4S)-4-hydroxy-2-phenyl-2-propylpentanenitrile
CID 125465966
(2S,4S)-4-hydroxy-2-phenyl-2-propylpentanenitrile
CID 125465965
2-[2-[di(propan-2-yl)amino]ethyl]-2-(2-fluorophenyl)-4-piperidin-1-ylbutanenitrile
CID 12612240
2-[2-(dimethylamino)ethyl]-2-(4-methylphenyl)-4-phenylbutanenitrile
CID 13316566
5-(2-aminoethylamino)-2-ethyl-2-phenylpentanenitrile
CID 18789771

Frequently Asked Questions

What is the IUPAC name of 5-[di(propan-2-yl)amino]-2-[2-[di(propan-2-yl)amino]ethyl]-2-phenylpentanenitrile?
The IUPAC name of 5-[di(propan-2-yl)amino]-2-[2-[di(propan-2-yl)amino]ethyl]-2-phenylpentanenitrile (CID 21320523) is 5-[di(propan-2-yl)amino]-2-[2-[di(propan-2-yl)amino]ethyl]-2-phenylpentanenitrile.
What is the SMILES notation for 5-[di(propan-2-yl)amino]-2-[2-[di(propan-2-yl)amino]ethyl]-2-phenylpentanenitrile?
The canonical SMILES for 5-[di(propan-2-yl)amino]-2-[2-[di(propan-2-yl)amino]ethyl]-2-phenylpentanenitrile is CC(C)N(CCCC(C#N)(CCN(C(C)C)C(C)C)c1ccccc1)C(C)C.
What is the InChIKey of 5-[di(propan-2-yl)amino]-2-[2-[di(propan-2-yl)amino]ethyl]-2-phenylpentanenitrile?
The InChIKey is KLGYNNVADGGTAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H43N3/c1-20(2)27(21(3)4)17-12-15-25(19-26,24-13-10-9-11-14-24)16-18-28(22(5)6)23(7)8/h9-11,13-14,20-23H,12,15-18H2,1-8H3.
What are the key properties of 5-[di(propan-2-yl)amino]-2-[2-[di(propan-2-yl)amino]ethyl]-2-phenylpentanenitrile?
5-[di(propan-2-yl)amino]-2-[2-[di(propan-2-yl)amino]ethyl]-2-phenylpentanenitrile has a molecular weight of 385.64 g/mol, XLogP of 5.86, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[di(propan-2-yl)amino]-2-[2-[di(propan-2-yl)amino]ethyl]-2-phenylpentanenitrile is sourced from PubChem (CID 21320523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).