2-(cyclopropylamino)-5-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-ethylpentanenitrile

C17H31N3 — CID 106804019

IUPAC2-(cyclopropylamino)-5-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-ethylpentanenitrile
SMILESCCC(C#N)(CCCN1[C@H](C)CCC[C@@H]1C)NC1CC1
InChIInChI=1S/C17H31N3/c1-4-17(13-18,19-16-9-10-16)11-6-12-20-14(2)7-5-8-15(20)3/h14-16,19H,4-12H2,1-3H3/t14-,15+,17?
InChIKeyJKPTYDYOCMHFTN-FKEKPDDDSA-N
MW277.46 g/mol
LogP3.45
Rot. Bonds7

About 2-(cyclopropylamino)-5-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-ethylpentanenitrile

2-(cyclopropylamino)-5-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-ethylpentanenitrile (PubChem CID 106804019) has the molecular formula C17H31N3 and a molecular weight of 277.46 g/mol. Its IUPAC name is 2-(cyclopropylamino)-5-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-ethylpentanenitrile.

Molecular Properties

Compound Name2-(cyclopropylamino)-5-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-ethylpentanenitrile
PubChem CID106804019
Molecular FormulaC17H31N3
Molecular Weight277.46 g/mol
Exact Mass277.25
IUPAC Name2-(cyclopropylamino)-5-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-ethylpentanenitrile
SMILESCCC(C#N)(CCCN1[C@H](C)CCC[C@@H]1C)NC1CC1
InChIInChI=1S/C17H31N3/c1-4-17(13-18,19-16-9-10-16)11-6-12-20-14(2)7-5-8-15(20)3/h14-16,19H,4-12H2,1-3H3/t14-,15+,17?
InChIKeyJKPTYDYOCMHFTN-FKEKPDDDSA-N
XLogP3.45
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.46
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-(cyclopropylamino)-2-ethylpentanenitrile
CID 106803784
5-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-(cyclopropylamino)-2-ethylpentanenitrile
CID 106803254
5-(2,6-dimethylpiperidin-1-yl)-2,2-dimethylpentanenitrile
CID 65257406
2-(cyclopropylamino)-2-ethyl-5-(3-ethylpyrrolidin-1-yl)pentanenitrile
CID 106803966
2-(cyclopropylamino)-2-ethyl-5-methylsulfanylpentanenitrile
CID 106805271
2-(cyclopropylamino)-2-ethyl-5-[methyl-(1-methylpiperidin-3-yl)amino]pentanenitrile
CID 106803521
5-tert-butylsulfanyl-2-(cyclopropylamino)-2-ethylpentanenitrile
CID 106805078
2-(cyclopropylamino)-5-(dibutylamino)-2-ethylpentanenitrile
CID 106802939
2-ethyl-2-(methylamino)-5-(2-methylpyrrolidin-1-yl)pentanenitrile
CID 106802754
1-[4-cyano-4-(cyclopropylamino)hexyl]piperidine-4-carboxamide
CID 106802789
2-(cyclopropylamino)-2-ethyl-5-(2-methylimidazol-1-yl)pentanenitrile
CID 106804107
2-(cyclopropylamino)-2-ethyl-5-[pentyl(propan-2-yl)amino]pentanenitrile
CID 106803291

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-5-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-ethylpentanenitrile?
The IUPAC name of 2-(cyclopropylamino)-5-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-ethylpentanenitrile (CID 106804019) is 2-(cyclopropylamino)-5-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-ethylpentanenitrile.
What is the SMILES notation for 2-(cyclopropylamino)-5-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-ethylpentanenitrile?
The canonical SMILES for 2-(cyclopropylamino)-5-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-ethylpentanenitrile is CCC(C#N)(CCCN1[C@H](C)CCC[C@@H]1C)NC1CC1.
What is the InChIKey of 2-(cyclopropylamino)-5-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-ethylpentanenitrile?
The InChIKey is JKPTYDYOCMHFTN-FKEKPDDDSA-N. The full InChI is InChI=1S/C17H31N3/c1-4-17(13-18,19-16-9-10-16)11-6-12-20-14(2)7-5-8-15(20)3/h14-16,19H,4-12H2,1-3H3/t14-,15+,17?.
What are the key properties of 2-(cyclopropylamino)-5-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-ethylpentanenitrile?
2-(cyclopropylamino)-5-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-ethylpentanenitrile has a molecular weight of 277.46 g/mol, XLogP of 3.45, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-5-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-ethylpentanenitrile is sourced from PubChem (CID 106804019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).