5-(4-tert-butylpiperidin-1-yl)-2-ethyl-2-(methylamino)pentanenitrile

C17H33N3 — CID 106803491

IUPAC5-(4-tert-butylpiperidin-1-yl)-2-ethyl-2-(methylamino)pentanenitrile
SMILESCCC(C#N)(CCCN1CCC(C(C)(C)C)CC1)NC
InChIInChI=1S/C17H33N3/c1-6-17(14-18,19-5)10-7-11-20-12-8-15(9-13-20)16(2,3)4/h15,19H,6-13H2,1-5H3
InChIKeyOYSQKKMUOBTOBE-UHFFFAOYSA-N
MW279.47 g/mol
LogP3.42
Rot. Bonds6

About 5-(4-tert-butylpiperidin-1-yl)-2-ethyl-2-(methylamino)pentanenitrile

5-(4-tert-butylpiperidin-1-yl)-2-ethyl-2-(methylamino)pentanenitrile (PubChem CID 106803491) has the molecular formula C17H33N3 and a molecular weight of 279.47 g/mol. Its IUPAC name is 5-(4-tert-butylpiperidin-1-yl)-2-ethyl-2-(methylamino)pentanenitrile.

Molecular Properties

Compound Name5-(4-tert-butylpiperidin-1-yl)-2-ethyl-2-(methylamino)pentanenitrile
PubChem CID106803491
Molecular FormulaC17H33N3
Molecular Weight279.47 g/mol
Exact Mass279.27
IUPAC Name5-(4-tert-butylpiperidin-1-yl)-2-ethyl-2-(methylamino)pentanenitrile
SMILESCCC(C#N)(CCCN1CCC(C(C)(C)C)CC1)NC
InChIInChI=1S/C17H33N3/c1-6-17(14-18,19-5)10-7-11-20-12-8-15(9-13-20)16(2,3)4/h15,19H,6-13H2,1-5H3
InChIKeyOYSQKKMUOBTOBE-UHFFFAOYSA-N
XLogP3.42
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.47
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-2-(methylamino)-5-(4-propylpiperazin-1-yl)pentanenitrile
CID 106802818
2-ethyl-5-(3-methoxy-4-methylpiperidin-1-yl)-2-(methylamino)pentanenitrile
CID 106804039
2-ethyl-2-(methylamino)-5-(4-methylsulfonylpiperazin-1-yl)pentanenitrile
CID 106803568
2-ethyl-2-(methylamino)-5-(3-morpholin-4-ylpyrrolidin-1-yl)pentanenitrile
CID 106803612
5-(2,6-dimethylmorpholin-4-yl)-2-ethyl-2-(methylamino)pentanenitrile
CID 106802864
5-(4-tert-butylazepan-1-yl)-2,2-dimethylpentanenitrile
CID 65257423
2-ethyl-2-(methylamino)-5-(2-methylpyrrolidin-1-yl)pentanenitrile
CID 106802754
2-ethyl-2-(propylamino)-5-(4-propylpiperidin-1-yl)pentanenitrile
CID 106803501
5-(4-ethoxypiperidin-1-yl)-2-ethyl-2-(propan-2-ylamino)pentanenitrile
CID 106803139
4-(4-tert-butylpiperidin-1-yl)-N-methylbutan-1-amine
CID 62084191
1-[4-cyano-4-(cyclopropylamino)hexyl]piperidine-4-carboxamide
CID 106802789
2-ethyl-5-[4-(methoxymethyl)piperidin-1-yl]-2-(propylamino)pentanenitrile
CID 106803718

Frequently Asked Questions

What is the IUPAC name of 5-(4-tert-butylpiperidin-1-yl)-2-ethyl-2-(methylamino)pentanenitrile?
The IUPAC name of 5-(4-tert-butylpiperidin-1-yl)-2-ethyl-2-(methylamino)pentanenitrile (CID 106803491) is 5-(4-tert-butylpiperidin-1-yl)-2-ethyl-2-(methylamino)pentanenitrile.
What is the SMILES notation for 5-(4-tert-butylpiperidin-1-yl)-2-ethyl-2-(methylamino)pentanenitrile?
The canonical SMILES for 5-(4-tert-butylpiperidin-1-yl)-2-ethyl-2-(methylamino)pentanenitrile is CCC(C#N)(CCCN1CCC(C(C)(C)C)CC1)NC.
What is the InChIKey of 5-(4-tert-butylpiperidin-1-yl)-2-ethyl-2-(methylamino)pentanenitrile?
The InChIKey is OYSQKKMUOBTOBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3/c1-6-17(14-18,19-5)10-7-11-20-12-8-15(9-13-20)16(2,3)4/h15,19H,6-13H2,1-5H3.
What are the key properties of 5-(4-tert-butylpiperidin-1-yl)-2-ethyl-2-(methylamino)pentanenitrile?
5-(4-tert-butylpiperidin-1-yl)-2-ethyl-2-(methylamino)pentanenitrile has a molecular weight of 279.47 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-tert-butylpiperidin-1-yl)-2-ethyl-2-(methylamino)pentanenitrile is sourced from PubChem (CID 106803491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).