4-(4-ethyl-3-methylpiperazin-1-yl)-2-methyl-2-(propylamino)butanenitrile

C15H30N4 — CID 63635579

IUPAC4-(4-ethyl-3-methylpiperazin-1-yl)-2-methyl-2-(propylamino)butanenitrile
SMILESCCCNC(C)(C#N)CCN1CCN(CC)C(C)C1
InChIInChI=1S/C15H30N4/c1-5-8-17-15(4,13-16)7-9-18-10-11-19(6-2)14(3)12-18/h14,17H,5-12H2,1-4H3
InChIKeyMXGCXKPLGFXZAT-UHFFFAOYSA-N
MW266.43 g/mol
LogP1.68
Rot. Bonds7

About 4-(4-ethyl-3-methylpiperazin-1-yl)-2-methyl-2-(propylamino)butanenitrile

4-(4-ethyl-3-methylpiperazin-1-yl)-2-methyl-2-(propylamino)butanenitrile (PubChem CID 63635579) has the molecular formula C15H30N4 and a molecular weight of 266.43 g/mol. Its IUPAC name is 4-(4-ethyl-3-methylpiperazin-1-yl)-2-methyl-2-(propylamino)butanenitrile.

Molecular Properties

Compound Name4-(4-ethyl-3-methylpiperazin-1-yl)-2-methyl-2-(propylamino)butanenitrile
PubChem CID63635579
Molecular FormulaC15H30N4
Molecular Weight266.43 g/mol
Exact Mass266.25
IUPAC Name4-(4-ethyl-3-methylpiperazin-1-yl)-2-methyl-2-(propylamino)butanenitrile
SMILESCCCNC(C)(C#N)CCN1CCN(CC)C(C)C1
InChIInChI=1S/C15H30N4/c1-5-8-17-15(4,13-16)7-9-18-10-11-19(6-2)14(3)12-18/h14,17H,5-12H2,1-4H3
InChIKeyMXGCXKPLGFXZAT-UHFFFAOYSA-N
XLogP1.68
TPSA42.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-methyl-2-(propylamino)pentanenitrile
CID 79942985
2-methyl-4-(3-phenylpyrrolidin-1-yl)-2-(propylamino)butanenitrile
CID 62131420
6-(3,4-dimethylpyrrolidin-1-yl)-2-methyl-2-(propylamino)hexanenitrile
CID 79184004
5-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-2-methyl-2-(propylamino)pentanenitrile
CID 63150606
4-(4-ethyl-3-methylpiperazin-1-yl)-2-methyl-2-(methylamino)butanoic acid
CID 63633318
4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-(ethylamino)-2-methylbutanenitrile
CID 79943625
6-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-2-(propylamino)hexanenitrile
CID 64599701
6-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-methyl-2-(propylamino)hexanenitrile
CID 104968525
5-(2,3-dimethylpiperidin-1-yl)-2-methyl-2-(propylamino)pentanenitrile
CID 62124864
2-(ethylamino)-5-(4-ethyl-3-methylpiperazin-1-yl)-2-methylpentanamide
CID 63634712
1-(4-ethyl-3-methylpiperazin-1-yl)-N-propylbutan-2-amine
CID 55216953
4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-(ethylamino)-2-methylbutanenitrile
CID 62888834

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethyl-3-methylpiperazin-1-yl)-2-methyl-2-(propylamino)butanenitrile?
The IUPAC name of 4-(4-ethyl-3-methylpiperazin-1-yl)-2-methyl-2-(propylamino)butanenitrile (CID 63635579) is 4-(4-ethyl-3-methylpiperazin-1-yl)-2-methyl-2-(propylamino)butanenitrile.
What is the SMILES notation for 4-(4-ethyl-3-methylpiperazin-1-yl)-2-methyl-2-(propylamino)butanenitrile?
The canonical SMILES for 4-(4-ethyl-3-methylpiperazin-1-yl)-2-methyl-2-(propylamino)butanenitrile is CCCNC(C)(C#N)CCN1CCN(CC)C(C)C1.
What is the InChIKey of 4-(4-ethyl-3-methylpiperazin-1-yl)-2-methyl-2-(propylamino)butanenitrile?
The InChIKey is MXGCXKPLGFXZAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4/c1-5-8-17-15(4,13-16)7-9-18-10-11-19(6-2)14(3)12-18/h14,17H,5-12H2,1-4H3.
What are the key properties of 4-(4-ethyl-3-methylpiperazin-1-yl)-2-methyl-2-(propylamino)butanenitrile?
4-(4-ethyl-3-methylpiperazin-1-yl)-2-methyl-2-(propylamino)butanenitrile has a molecular weight of 266.43 g/mol, XLogP of 1.68, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethyl-3-methylpiperazin-1-yl)-2-methyl-2-(propylamino)butanenitrile is sourced from PubChem (CID 63635579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).