2-ethyl-2-(methylamino)-5-(3-morpholin-4-ylpyrrolidin-1-yl)pentanenitrile

C16H30N4O — CID 106803612

IUPAC2-ethyl-2-(methylamino)-5-(3-morpholin-4-ylpyrrolidin-1-yl)pentanenitrile
SMILESCCC(C#N)(CCCN1CCC(N2CCOCC2)C1)NC
InChIInChI=1S/C16H30N4O/c1-3-16(14-17,18-2)6-4-7-19-8-5-15(13-19)20-9-11-21-12-10-20/h15,18H,3-13H2,1-2H3
InChIKeyAAWQIGILJIDESC-UHFFFAOYSA-N
MW294.44 g/mol
LogP1.06
Rot. Bonds7

About 2-ethyl-2-(methylamino)-5-(3-morpholin-4-ylpyrrolidin-1-yl)pentanenitrile

2-ethyl-2-(methylamino)-5-(3-morpholin-4-ylpyrrolidin-1-yl)pentanenitrile (PubChem CID 106803612) has the molecular formula C16H30N4O and a molecular weight of 294.44 g/mol. Its IUPAC name is 2-ethyl-2-(methylamino)-5-(3-morpholin-4-ylpyrrolidin-1-yl)pentanenitrile.

Molecular Properties

Compound Name2-ethyl-2-(methylamino)-5-(3-morpholin-4-ylpyrrolidin-1-yl)pentanenitrile
PubChem CID106803612
Molecular FormulaC16H30N4O
Molecular Weight294.44 g/mol
Exact Mass294.24
IUPAC Name2-ethyl-2-(methylamino)-5-(3-morpholin-4-ylpyrrolidin-1-yl)pentanenitrile
SMILESCCC(C#N)(CCCN1CCC(N2CCOCC2)C1)NC
InChIInChI=1S/C16H30N4O/c1-3-16(14-17,18-2)6-4-7-19-8-5-15(13-19)20-9-11-21-12-10-20/h15,18H,3-13H2,1-2H3
InChIKeyAAWQIGILJIDESC-UHFFFAOYSA-N
XLogP1.06
TPSA51.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(ethylamino)-2-methyl-5-(3-morpholin-4-ylpyrrolidin-1-yl)pentanenitrile
CID 63171363
5-(4-tert-butylpiperidin-1-yl)-2-ethyl-2-(methylamino)pentanenitrile
CID 106803491
3-(aminomethyl)-6-(3-morpholin-4-ylpyrrolidin-1-yl)hexan-3-ol
CID 106811330
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
2-ethyl-5-(3-methoxy-4-methylpiperidin-1-yl)-2-(methylamino)pentanenitrile
CID 106804039
5-(2,6-dimethylmorpholin-4-yl)-2-ethyl-2-(methylamino)pentanenitrile
CID 106802864
2-ethyl-2-(methylamino)-5-(4-propylpiperazin-1-yl)pentanenitrile
CID 106802818
N-methyl-6-(3-morpholin-4-ylpyrrolidin-1-yl)hexan-2-amine
CID 63169704
5-(3,3-dimethylmorpholin-4-yl)-2-ethyl-2-(methylamino)pentanenitrile
CID 106803300
2-methyl-2-(methylamino)-6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)hexanenitrile
CID 63165853
methyl 2-amino-2-methyl-5-(3-morpholin-4-ylpyrrolidin-1-yl)pentanoate
CID 63170970
2-ethyl-2-(methylamino)-5-(2-methylpyrrolidin-1-yl)pentanenitrile
CID 106802754

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(methylamino)-5-(3-morpholin-4-ylpyrrolidin-1-yl)pentanenitrile?
The IUPAC name of 2-ethyl-2-(methylamino)-5-(3-morpholin-4-ylpyrrolidin-1-yl)pentanenitrile (CID 106803612) is 2-ethyl-2-(methylamino)-5-(3-morpholin-4-ylpyrrolidin-1-yl)pentanenitrile.
What is the SMILES notation for 2-ethyl-2-(methylamino)-5-(3-morpholin-4-ylpyrrolidin-1-yl)pentanenitrile?
The canonical SMILES for 2-ethyl-2-(methylamino)-5-(3-morpholin-4-ylpyrrolidin-1-yl)pentanenitrile is CCC(C#N)(CCCN1CCC(N2CCOCC2)C1)NC.
What is the InChIKey of 2-ethyl-2-(methylamino)-5-(3-morpholin-4-ylpyrrolidin-1-yl)pentanenitrile?
The InChIKey is AAWQIGILJIDESC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O/c1-3-16(14-17,18-2)6-4-7-19-8-5-15(13-19)20-9-11-21-12-10-20/h15,18H,3-13H2,1-2H3.
What are the key properties of 2-ethyl-2-(methylamino)-5-(3-morpholin-4-ylpyrrolidin-1-yl)pentanenitrile?
2-ethyl-2-(methylamino)-5-(3-morpholin-4-ylpyrrolidin-1-yl)pentanenitrile has a molecular weight of 294.44 g/mol, XLogP of 1.06, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(methylamino)-5-(3-morpholin-4-ylpyrrolidin-1-yl)pentanenitrile is sourced from PubChem (CID 106803612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).