4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-(ethylamino)-2-methylbutanenitrile

C15H31N5 — CID 62888834

IUPAC4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-(ethylamino)-2-methylbutanenitrile
SMILESCCNC(C)(C#N)CCN1CCN(CCN(C)C)CC1
InChIInChI=1S/C15H31N5/c1-5-17-15(2,14-16)6-7-19-10-12-20(13-11-19)9-8-18(3)4/h17H,5-13H2,1-4H3
InChIKeyPZVTWQWENBDMEM-UHFFFAOYSA-N
MW281.45 g/mol
LogP0.45
Rot. Bonds8

About 4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-(ethylamino)-2-methylbutanenitrile

4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-(ethylamino)-2-methylbutanenitrile (PubChem CID 62888834) has the molecular formula C15H31N5 and a molecular weight of 281.45 g/mol. Its IUPAC name is 4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-(ethylamino)-2-methylbutanenitrile.

Molecular Properties

Compound Name4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-(ethylamino)-2-methylbutanenitrile
PubChem CID62888834
Molecular FormulaC15H31N5
Molecular Weight281.45 g/mol
Exact Mass281.26
IUPAC Name4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-(ethylamino)-2-methylbutanenitrile
SMILESCCNC(C)(C#N)CCN1CCN(CCN(C)C)CC1
InChIInChI=1S/C15H31N5/c1-5-17-15(2,14-16)6-7-19-10-12-20(13-11-19)9-8-18(3)4/h17H,5-13H2,1-4H3
InChIKeyPZVTWQWENBDMEM-UHFFFAOYSA-N
XLogP0.45
TPSA45.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.45
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-Methyl-2-(piperazin-1-yl)butanenitrile
CID 16227099
3-[3-(4-Methylpiperazin-1-yl)propylamino]propanenitrile
CID 44373991
Piperazine-2,5,5-tetracarbonitrile, 3,6-dipropyl-
CID 398330
2,3-Dimethyl-2,3-piperazinedicarbonitrile
CID 3030123
2-Amino-2-methyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butanenitrile
CID 55140971
2-(Cyclopropylamino)-2-methyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butanenitrile
CID 62967769
2-Methyl-2-(methylamino)-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butanenitrile
CID 62967926
2-(Ethylamino)-2-methyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butanenitrile
CID 62968084
2-Methyl-2-(propylamino)-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butanenitrile
CID 62968085
2-Methyl-2-(propan-2-ylamino)-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butanenitrile
CID 62968086
2-(Ethylamino)-2-methyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentanenitrile
CID 64726321
2-Methyl-2-(methylamino)-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentanenitrile
CID 64726323

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-(ethylamino)-2-methylbutanenitrile?
The IUPAC name of 4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-(ethylamino)-2-methylbutanenitrile (CID 62888834) is 4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-(ethylamino)-2-methylbutanenitrile.
What is the SMILES notation for 4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-(ethylamino)-2-methylbutanenitrile?
The canonical SMILES for 4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-(ethylamino)-2-methylbutanenitrile is CCNC(C)(C#N)CCN1CCN(CCN(C)C)CC1.
What is the InChIKey of 4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-(ethylamino)-2-methylbutanenitrile?
The InChIKey is PZVTWQWENBDMEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N5/c1-5-17-15(2,14-16)6-7-19-10-12-20(13-11-19)9-8-18(3)4/h17H,5-13H2,1-4H3.
What are the key properties of 4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-(ethylamino)-2-methylbutanenitrile?
4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-(ethylamino)-2-methylbutanenitrile has a molecular weight of 281.45 g/mol, XLogP of 0.45, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-(ethylamino)-2-methylbutanenitrile is sourced from PubChem (CID 62888834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).