2-ethyl-2-(ethylamino)-5-[3-(methoxymethyl)piperidin-1-yl]pentanenitrile

C16H31N3O — CID 106804088

IUPAC2-ethyl-2-(ethylamino)-5-[3-(methoxymethyl)piperidin-1-yl]pentanenitrile
SMILESCCNC(C#N)(CC)CCCN1CCCC(COC)C1
InChIInChI=1S/C16H31N3O/c1-4-16(14-17,18-5-2)9-7-11-19-10-6-8-15(12-19)13-20-3/h15,18H,4-13H2,1-3H3
InChIKeyAXFQXXZCTNVVBE-UHFFFAOYSA-N
MW281.44 g/mol
LogP2.41
Rot. Bonds9

About 2-ethyl-2-(ethylamino)-5-[3-(methoxymethyl)piperidin-1-yl]pentanenitrile

2-ethyl-2-(ethylamino)-5-[3-(methoxymethyl)piperidin-1-yl]pentanenitrile (PubChem CID 106804088) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is 2-ethyl-2-(ethylamino)-5-[3-(methoxymethyl)piperidin-1-yl]pentanenitrile.

Molecular Properties

Compound Name2-ethyl-2-(ethylamino)-5-[3-(methoxymethyl)piperidin-1-yl]pentanenitrile
PubChem CID106804088
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC Name2-ethyl-2-(ethylamino)-5-[3-(methoxymethyl)piperidin-1-yl]pentanenitrile
SMILESCCNC(C#N)(CC)CCCN1CCCC(COC)C1
InChIInChI=1S/C16H31N3O/c1-4-16(14-17,18-5-2)9-7-11-19-10-6-8-15(12-19)13-20-3/h15,18H,4-13H2,1-3H3
InChIKeyAXFQXXZCTNVVBE-UHFFFAOYSA-N
XLogP2.41
TPSA48.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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-[4-(methoxymethyl)piperidin-1-yl]-2-(propylamino)pentanenitrile
CID 106803718
2-(cyclopropylamino)-5-[3-(methoxymethyl)piperidin-1-yl]-2-methylpentanenitrile
CID 106588537
2-ethyl-2-(ethylamino)-5-(4-methyl-1,4-diazepan-1-yl)pentanenitrile
CID 106802936
2-(ethylamino)-6-[3-(methoxymethyl)piperidin-1-yl]-2-methylhexanoic acid
CID 106588684
2-ethyl-5-[3-(methoxymethyl)piperidin-1-yl]-2-(methylamino)pentan-1-ol
CID 106809961
5-[3-(methoxymethyl)piperidin-1-yl]-2-methylpentan-2-amine
CID 106587473
5-(2,6-dimethylmorpholin-4-yl)-2-ethyl-2-(ethylamino)pentanenitrile
CID 106802865
2-(ethylamino)-5-[4-(methoxymethyl)piperidin-1-yl]-2-methylpentanenitrile
CID 63973536
2-ethyl-5-(3-methoxypyrrolidin-1-yl)-2-(propylamino)pentanenitrile
CID 106804074
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

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(ethylamino)-5-[3-(methoxymethyl)piperidin-1-yl]pentanenitrile?
The IUPAC name of 2-ethyl-2-(ethylamino)-5-[3-(methoxymethyl)piperidin-1-yl]pentanenitrile (CID 106804088) is 2-ethyl-2-(ethylamino)-5-[3-(methoxymethyl)piperidin-1-yl]pentanenitrile.
What is the SMILES notation for 2-ethyl-2-(ethylamino)-5-[3-(methoxymethyl)piperidin-1-yl]pentanenitrile?
The canonical SMILES for 2-ethyl-2-(ethylamino)-5-[3-(methoxymethyl)piperidin-1-yl]pentanenitrile is CCNC(C#N)(CC)CCCN1CCCC(COC)C1.
What is the InChIKey of 2-ethyl-2-(ethylamino)-5-[3-(methoxymethyl)piperidin-1-yl]pentanenitrile?
The InChIKey is AXFQXXZCTNVVBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-4-16(14-17,18-5-2)9-7-11-19-10-6-8-15(12-19)13-20-3/h15,18H,4-13H2,1-3H3.
What are the key properties of 2-ethyl-2-(ethylamino)-5-[3-(methoxymethyl)piperidin-1-yl]pentanenitrile?
2-ethyl-2-(ethylamino)-5-[3-(methoxymethyl)piperidin-1-yl]pentanenitrile has a molecular weight of 281.44 g/mol, XLogP of 2.41, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(ethylamino)-5-[3-(methoxymethyl)piperidin-1-yl]pentanenitrile is sourced from PubChem (CID 106804088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).