5-(3,4-dimethylpiperazin-1-yl)-2-ethyl-2-(propan-2-ylamino)pentanenitrile

C16H32N4 — CID 106803638

IUPAC5-(3,4-dimethylpiperazin-1-yl)-2-ethyl-2-(propan-2-ylamino)pentanenitrile
SMILESCCC(C#N)(CCCN1CCN(C)C(C)C1)NC(C)C
InChIInChI=1S/C16H32N4/c1-6-16(13-17,18-14(2)3)8-7-9-20-11-10-19(5)15(4)12-20/h14-15,18H,6-12H2,1-5H3
InChIKeyIRTDCKOWJKQPIM-UHFFFAOYSA-N
MW280.46 g/mol
LogP2.07
Rot. Bonds7

About 5-(3,4-dimethylpiperazin-1-yl)-2-ethyl-2-(propan-2-ylamino)pentanenitrile

5-(3,4-dimethylpiperazin-1-yl)-2-ethyl-2-(propan-2-ylamino)pentanenitrile (PubChem CID 106803638) has the molecular formula C16H32N4 and a molecular weight of 280.46 g/mol. Its IUPAC name is 5-(3,4-dimethylpiperazin-1-yl)-2-ethyl-2-(propan-2-ylamino)pentanenitrile.

Molecular Properties

Compound Name5-(3,4-dimethylpiperazin-1-yl)-2-ethyl-2-(propan-2-ylamino)pentanenitrile
PubChem CID106803638
Molecular FormulaC16H32N4
Molecular Weight280.46 g/mol
Exact Mass280.26
IUPAC Name5-(3,4-dimethylpiperazin-1-yl)-2-ethyl-2-(propan-2-ylamino)pentanenitrile
SMILESCCC(C#N)(CCCN1CCN(C)C(C)C1)NC(C)C
InChIInChI=1S/C16H32N4/c1-6-16(13-17,18-14(2)3)8-7-9-20-11-10-19(5)15(4)12-20/h14-15,18H,6-12H2,1-5H3
InChIKeyIRTDCKOWJKQPIM-UHFFFAOYSA-N
XLogP2.07
TPSA42.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2,4-dimethylpyrrolidin-1-yl)-2-ethyl-2-(propan-2-ylamino)pentanenitrile
CID 106803996
2-ethyl-5-(2-ethylpyrrolidin-1-yl)-2-(propan-2-ylamino)pentanenitrile
CID 106802748
5-(4-ethoxypiperidin-1-yl)-2-ethyl-2-(propan-2-ylamino)pentanenitrile
CID 106803139
2-ethyl-2-(methylamino)-5-(2-methylpyrrolidin-1-yl)pentanenitrile
CID 106802754
5-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-2-ethyl-2-(ethylamino)pentanenitrile
CID 106803583
5-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)-2-ethyl-2-(propan-2-ylamino)pentanenitrile
CID 106804259
2-ethyl-2-(methylamino)-5-(4-propylpiperazin-1-yl)pentanenitrile
CID 106802818
2-ethyl-5-[ethyl(propan-2-yl)amino]-2-(propan-2-ylamino)pentanenitrile
CID 106802974
2-ethyl-2-(ethylamino)-5-[3-(methoxymethyl)piperidin-1-yl]pentanenitrile
CID 106804088
2-ethyl-5-(2-methyl-1,4-oxazepan-4-yl)-2-(propylamino)pentanenitrile
CID 106803549
5-(2,6-dimethylmorpholin-4-yl)-2-ethyl-2-(methylamino)pentanenitrile
CID 106802864
N-[2-(3,4-dimethylpiperazin-1-yl)ethyl]propan-2-amine
CID 63609661

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethylpiperazin-1-yl)-2-ethyl-2-(propan-2-ylamino)pentanenitrile?
The IUPAC name of 5-(3,4-dimethylpiperazin-1-yl)-2-ethyl-2-(propan-2-ylamino)pentanenitrile (CID 106803638) is 5-(3,4-dimethylpiperazin-1-yl)-2-ethyl-2-(propan-2-ylamino)pentanenitrile.
What is the SMILES notation for 5-(3,4-dimethylpiperazin-1-yl)-2-ethyl-2-(propan-2-ylamino)pentanenitrile?
The canonical SMILES for 5-(3,4-dimethylpiperazin-1-yl)-2-ethyl-2-(propan-2-ylamino)pentanenitrile is CCC(C#N)(CCCN1CCN(C)C(C)C1)NC(C)C.
What is the InChIKey of 5-(3,4-dimethylpiperazin-1-yl)-2-ethyl-2-(propan-2-ylamino)pentanenitrile?
The InChIKey is IRTDCKOWJKQPIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N4/c1-6-16(13-17,18-14(2)3)8-7-9-20-11-10-19(5)15(4)12-20/h14-15,18H,6-12H2,1-5H3.
What are the key properties of 5-(3,4-dimethylpiperazin-1-yl)-2-ethyl-2-(propan-2-ylamino)pentanenitrile?
5-(3,4-dimethylpiperazin-1-yl)-2-ethyl-2-(propan-2-ylamino)pentanenitrile has a molecular weight of 280.46 g/mol, XLogP of 2.07, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethylpiperazin-1-yl)-2-ethyl-2-(propan-2-ylamino)pentanenitrile is sourced from PubChem (CID 106803638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).