2-ethyl-2-(ethylamino)-5-(4-methyl-1,4-diazepan-1-yl)pentanenitrile

C15H30N4 — CID 106802936

IUPAC2-ethyl-2-(ethylamino)-5-(4-methyl-1,4-diazepan-1-yl)pentanenitrile
SMILESCCNC(C#N)(CC)CCCN1CCCN(C)CC1
InChIInChI=1S/C15H30N4/c1-4-15(14-16,17-5-2)8-6-10-19-11-7-9-18(3)12-13-19/h17H,4-13H2,1-3H3
InChIKeyQFIUKVYPUKRESB-UHFFFAOYSA-N
MW266.43 g/mol
LogP1.69
Rot. Bonds7

About 2-ethyl-2-(ethylamino)-5-(4-methyl-1,4-diazepan-1-yl)pentanenitrile

2-ethyl-2-(ethylamino)-5-(4-methyl-1,4-diazepan-1-yl)pentanenitrile (PubChem CID 106802936) has the molecular formula C15H30N4 and a molecular weight of 266.43 g/mol. Its IUPAC name is 2-ethyl-2-(ethylamino)-5-(4-methyl-1,4-diazepan-1-yl)pentanenitrile.

Molecular Properties

Compound Name2-ethyl-2-(ethylamino)-5-(4-methyl-1,4-diazepan-1-yl)pentanenitrile
PubChem CID106802936
Molecular FormulaC15H30N4
Molecular Weight266.43 g/mol
Exact Mass266.25
IUPAC Name2-ethyl-2-(ethylamino)-5-(4-methyl-1,4-diazepan-1-yl)pentanenitrile
SMILESCCNC(C#N)(CC)CCCN1CCCN(C)CC1
InChIInChI=1S/C15H30N4/c1-4-15(14-16,17-5-2)8-6-10-19-11-7-9-18(3)12-13-19/h17H,4-13H2,1-3H3
InChIKeyQFIUKVYPUKRESB-UHFFFAOYSA-N
XLogP1.69
TPSA42.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-2-(ethylamino)-5-[methyl(2-pyrrolidin-1-ylethyl)amino]pentanenitrile
CID 106803619
2-ethyl-2-(ethylamino)-5-(4-methylsulfonylpiperazin-1-yl)pentanenitrile
CID 106803569
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-2-(ethylamino)-5-[3-(methoxymethyl)piperidin-1-yl]pentanenitrile
CID 106804088
5-(2,6-dimethylmorpholin-4-yl)-2-ethyl-2-(ethylamino)pentanenitrile
CID 106802865
2-ethyl-2-(methylamino)-5-(4-propylpiperazin-1-yl)pentanenitrile
CID 106802818
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
2-ethyl-2-(ethylamino)-5-(2-propylpiperidin-1-yl)pentanenitrile
CID 106803943
2-ethyl-2-(propylamino)-5-(4-propylpiperidin-1-yl)pentanenitrile
CID 106803501
5-(2,4-dimethylpyrrolidin-1-yl)-2-ethyl-2-(ethylamino)pentanenitrile
CID 106803999
2-ethyl-2-(methylamino)-5-(4-methylsulfonylpiperazin-1-yl)pentanenitrile
CID 106803568

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(ethylamino)-5-(4-methyl-1,4-diazepan-1-yl)pentanenitrile?
The IUPAC name of 2-ethyl-2-(ethylamino)-5-(4-methyl-1,4-diazepan-1-yl)pentanenitrile (CID 106802936) is 2-ethyl-2-(ethylamino)-5-(4-methyl-1,4-diazepan-1-yl)pentanenitrile.
What is the SMILES notation for 2-ethyl-2-(ethylamino)-5-(4-methyl-1,4-diazepan-1-yl)pentanenitrile?
The canonical SMILES for 2-ethyl-2-(ethylamino)-5-(4-methyl-1,4-diazepan-1-yl)pentanenitrile is CCNC(C#N)(CC)CCCN1CCCN(C)CC1.
What is the InChIKey of 2-ethyl-2-(ethylamino)-5-(4-methyl-1,4-diazepan-1-yl)pentanenitrile?
The InChIKey is QFIUKVYPUKRESB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4/c1-4-15(14-16,17-5-2)8-6-10-19-11-7-9-18(3)12-13-19/h17H,4-13H2,1-3H3.
What are the key properties of 2-ethyl-2-(ethylamino)-5-(4-methyl-1,4-diazepan-1-yl)pentanenitrile?
2-ethyl-2-(ethylamino)-5-(4-methyl-1,4-diazepan-1-yl)pentanenitrile has a molecular weight of 266.43 g/mol, XLogP of 1.69, 7 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-(4-methyl-1,4-diazepan-1-yl)pentanenitrile is sourced from PubChem (CID 106802936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).