2-ethyl-2-(methylamino)-5-(4-propylpiperazin-1-yl)pentanenitrile

C15H30N4 — CID 106802818

IUPAC2-ethyl-2-(methylamino)-5-(4-propylpiperazin-1-yl)pentanenitrile
SMILESCCCN1CCN(CCCC(C#N)(CC)NC)CC1
InChIInChI=1S/C15H30N4/c1-4-8-18-10-12-19(13-11-18)9-6-7-15(5-2,14-16)17-3/h17H,4-13H2,1-3H3
InChIKeyKUQZZFPWMZWQKG-UHFFFAOYSA-N
MW266.43 g/mol
LogP1.69
Rot. Bonds8

About 2-ethyl-2-(methylamino)-5-(4-propylpiperazin-1-yl)pentanenitrile

2-ethyl-2-(methylamino)-5-(4-propylpiperazin-1-yl)pentanenitrile (PubChem CID 106802818) has the molecular formula C15H30N4 and a molecular weight of 266.43 g/mol. Its IUPAC name is 2-ethyl-2-(methylamino)-5-(4-propylpiperazin-1-yl)pentanenitrile.

Molecular Properties

Compound Name2-ethyl-2-(methylamino)-5-(4-propylpiperazin-1-yl)pentanenitrile
PubChem CID106802818
Molecular FormulaC15H30N4
Molecular Weight266.43 g/mol
Exact Mass266.25
IUPAC Name2-ethyl-2-(methylamino)-5-(4-propylpiperazin-1-yl)pentanenitrile
SMILESCCCN1CCN(CCCC(C#N)(CC)NC)CC1
InChIInChI=1S/C15H30N4/c1-4-8-18-10-12-19(13-11-18)9-6-7-15(5-2,14-16)17-3/h17H,4-13H2,1-3H3
InChIKeyKUQZZFPWMZWQKG-UHFFFAOYSA-N
XLogP1.69
TPSA42.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
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-(methylamino)-5-(4-methylsulfonylpiperazin-1-yl)pentanenitrile
CID 106803568
5-(4-tert-butylpiperidin-1-yl)-2-ethyl-2-(methylamino)pentanenitrile
CID 106803491
5-(2,6-dimethylmorpholin-4-yl)-2-ethyl-2-(methylamino)pentanenitrile
CID 106802864
2-ethyl-5-(3-methoxy-4-methylpiperidin-1-yl)-2-(methylamino)pentanenitrile
CID 106804039
5-(2,5-dioxopyrrolidin-1-yl)-2-ethyl-2-(methylamino)pentanenitrile
CID 106804177
2-ethyl-2-(ethylamino)-5-(4-methyl-1,4-diazepan-1-yl)pentanenitrile
CID 106802936
2-ethyl-2-(methylamino)-5-(2-methylpyrrolidin-1-yl)pentanenitrile
CID 106802754
2-ethyl-2-(methylamino)-5-(3-morpholin-4-ylpyrrolidin-1-yl)pentanenitrile
CID 106803612
2-ethyl-2-(propylamino)-5-(4-propylpiperidin-1-yl)pentanenitrile
CID 106803501
2-ethyl-2-(ethylamino)-5-(4-methylsulfonylpiperazin-1-yl)pentanenitrile
CID 106803569
5-(dipropylamino)-2-ethyl-2-(methylamino)pentanenitrile
CID 106802895
5-(3,3-dimethylmorpholin-4-yl)-2-ethyl-2-(methylamino)pentanenitrile
CID 106803300

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(methylamino)-5-(4-propylpiperazin-1-yl)pentanenitrile?
The IUPAC name of 2-ethyl-2-(methylamino)-5-(4-propylpiperazin-1-yl)pentanenitrile (CID 106802818) is 2-ethyl-2-(methylamino)-5-(4-propylpiperazin-1-yl)pentanenitrile.
What is the SMILES notation for 2-ethyl-2-(methylamino)-5-(4-propylpiperazin-1-yl)pentanenitrile?
The canonical SMILES for 2-ethyl-2-(methylamino)-5-(4-propylpiperazin-1-yl)pentanenitrile is CCCN1CCN(CCCC(C#N)(CC)NC)CC1.
What is the InChIKey of 2-ethyl-2-(methylamino)-5-(4-propylpiperazin-1-yl)pentanenitrile?
The InChIKey is KUQZZFPWMZWQKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4/c1-4-8-18-10-12-19(13-11-18)9-6-7-15(5-2,14-16)17-3/h17H,4-13H2,1-3H3.
What are the key properties of 2-ethyl-2-(methylamino)-5-(4-propylpiperazin-1-yl)pentanenitrile?
2-ethyl-2-(methylamino)-5-(4-propylpiperazin-1-yl)pentanenitrile has a molecular weight of 266.43 g/mol, XLogP of 1.69, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(methylamino)-5-(4-propylpiperazin-1-yl)pentanenitrile is sourced from PubChem (CID 106802818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).