2-ethyl-5-(2-ethylpyrrolidin-1-yl)-2-(propan-2-ylamino)pentanenitrile

C16H31N3 — CID 106802748

IUPAC2-ethyl-5-(2-ethylpyrrolidin-1-yl)-2-(propan-2-ylamino)pentanenitrile
SMILESCCC1CCCN1CCCC(C#N)(CC)NC(C)C
InChIInChI=1S/C16H31N3/c1-5-15-9-7-11-19(15)12-8-10-16(6-2,13-17)18-14(3)4/h14-15,18H,5-12H2,1-4H3
InChIKeyLWRSDCGPTDXZJW-UHFFFAOYSA-N
MW265.44 g/mol
LogP3.31
Rot. Bonds8

About 2-ethyl-5-(2-ethylpyrrolidin-1-yl)-2-(propan-2-ylamino)pentanenitrile

2-ethyl-5-(2-ethylpyrrolidin-1-yl)-2-(propan-2-ylamino)pentanenitrile (PubChem CID 106802748) has the molecular formula C16H31N3 and a molecular weight of 265.44 g/mol. Its IUPAC name is 2-ethyl-5-(2-ethylpyrrolidin-1-yl)-2-(propan-2-ylamino)pentanenitrile.

Molecular Properties

Compound Name2-ethyl-5-(2-ethylpyrrolidin-1-yl)-2-(propan-2-ylamino)pentanenitrile
PubChem CID106802748
Molecular FormulaC16H31N3
Molecular Weight265.44 g/mol
Exact Mass265.25
IUPAC Name2-ethyl-5-(2-ethylpyrrolidin-1-yl)-2-(propan-2-ylamino)pentanenitrile
SMILESCCC1CCCN1CCCC(C#N)(CC)NC(C)C
InChIInChI=1S/C16H31N3/c1-5-15-9-7-11-19(15)12-8-10-16(6-2,13-17)18-14(3)4/h14-15,18H,5-12H2,1-4H3
InChIKeyLWRSDCGPTDXZJW-UHFFFAOYSA-N
XLogP3.31
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3,4-dimethylpiperazin-1-yl)-2-ethyl-2-(propan-2-ylamino)pentanenitrile
CID 106803638
5-(2,4-dimethylpyrrolidin-1-yl)-2-ethyl-2-(propan-2-ylamino)pentanenitrile
CID 106803996
2-ethyl-5-(2-ethylpiperidin-1-yl)-2-(propan-2-ylamino)pentan-1-ol
CID 106809193
5-(2-ethylpiperidin-1-yl)-2,2-dimethylpentanenitrile
CID 65257728
2-ethyl-2-(ethylamino)-5-(2-propylpiperidin-1-yl)pentanenitrile
CID 106803943
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
2-methyl-2-(propan-2-ylamino)-5-(2-propylpiperidin-1-yl)pentanenitrile
CID 83062285
5-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-ethyl-2-(ethylamino)pentanenitrile
CID 106804026
5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-ethyl-2-(ethylamino)pentanenitrile
CID 106803115
5-(2-ethylazepan-1-yl)-2-methyl-2-(propan-2-ylamino)pentanoic acid
CID 104691702
5-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-(cyclopropylamino)-2-ethylpentanenitrile
CID 106803784

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-(2-ethylpyrrolidin-1-yl)-2-(propan-2-ylamino)pentanenitrile?
The IUPAC name of 2-ethyl-5-(2-ethylpyrrolidin-1-yl)-2-(propan-2-ylamino)pentanenitrile (CID 106802748) is 2-ethyl-5-(2-ethylpyrrolidin-1-yl)-2-(propan-2-ylamino)pentanenitrile.
What is the SMILES notation for 2-ethyl-5-(2-ethylpyrrolidin-1-yl)-2-(propan-2-ylamino)pentanenitrile?
The canonical SMILES for 2-ethyl-5-(2-ethylpyrrolidin-1-yl)-2-(propan-2-ylamino)pentanenitrile is CCC1CCCN1CCCC(C#N)(CC)NC(C)C.
What is the InChIKey of 2-ethyl-5-(2-ethylpyrrolidin-1-yl)-2-(propan-2-ylamino)pentanenitrile?
The InChIKey is LWRSDCGPTDXZJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3/c1-5-15-9-7-11-19(15)12-8-10-16(6-2,13-17)18-14(3)4/h14-15,18H,5-12H2,1-4H3.
What are the key properties of 2-ethyl-5-(2-ethylpyrrolidin-1-yl)-2-(propan-2-ylamino)pentanenitrile?
2-ethyl-5-(2-ethylpyrrolidin-1-yl)-2-(propan-2-ylamino)pentanenitrile has a molecular weight of 265.44 g/mol, XLogP of 3.31, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-(2-ethylpyrrolidin-1-yl)-2-(propan-2-ylamino)pentanenitrile is sourced from PubChem (CID 106802748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).