2-(ethylamino)-4-(3-ethyl-4-methylpiperazin-1-yl)butanenitrile

C13H26N4 — CID 63634010

IUPAC2-(ethylamino)-4-(3-ethyl-4-methylpiperazin-1-yl)butanenitrile
SMILESCCNC(C#N)CCN1CCN(C)C(CC)C1
InChIInChI=1S/C13H26N4/c1-4-13-11-17(9-8-16(13)3)7-6-12(10-14)15-5-2/h12-13,15H,4-9,11H2,1-3H3
InChIKeyPDUHUYDFDIQKGI-UHFFFAOYSA-N
MW238.38 g/mol
LogP0.90
Rot. Bonds6

About 2-(ethylamino)-4-(3-ethyl-4-methylpiperazin-1-yl)butanenitrile

2-(ethylamino)-4-(3-ethyl-4-methylpiperazin-1-yl)butanenitrile (PubChem CID 63634010) has the molecular formula C13H26N4 and a molecular weight of 238.38 g/mol. Its IUPAC name is 2-(ethylamino)-4-(3-ethyl-4-methylpiperazin-1-yl)butanenitrile.

Molecular Properties

Compound Name2-(ethylamino)-4-(3-ethyl-4-methylpiperazin-1-yl)butanenitrile
PubChem CID63634010
Molecular FormulaC13H26N4
Molecular Weight238.38 g/mol
Exact Mass238.22
IUPAC Name2-(ethylamino)-4-(3-ethyl-4-methylpiperazin-1-yl)butanenitrile
SMILESCCNC(C#N)CCN1CCN(C)C(CC)C1
InChIInChI=1S/C13H26N4/c1-4-13-11-17(9-8-16(13)3)7-6-12(10-14)15-5-2/h12-13,15H,4-9,11H2,1-3H3
InChIKeyPDUHUYDFDIQKGI-UHFFFAOYSA-N
XLogP0.90
TPSA42.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.38
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-4-(3-ethyl-4-methylpiperazin-1-yl)butanenitrile?
The IUPAC name of 2-(ethylamino)-4-(3-ethyl-4-methylpiperazin-1-yl)butanenitrile (CID 63634010) is 2-(ethylamino)-4-(3-ethyl-4-methylpiperazin-1-yl)butanenitrile.
What is the SMILES notation for 2-(ethylamino)-4-(3-ethyl-4-methylpiperazin-1-yl)butanenitrile?
The canonical SMILES for 2-(ethylamino)-4-(3-ethyl-4-methylpiperazin-1-yl)butanenitrile is CCNC(C#N)CCN1CCN(C)C(CC)C1.
What is the InChIKey of 2-(ethylamino)-4-(3-ethyl-4-methylpiperazin-1-yl)butanenitrile?
The InChIKey is PDUHUYDFDIQKGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4/c1-4-13-11-17(9-8-16(13)3)7-6-12(10-14)15-5-2/h12-13,15H,4-9,11H2,1-3H3.
What are the key properties of 2-(ethylamino)-4-(3-ethyl-4-methylpiperazin-1-yl)butanenitrile?
2-(ethylamino)-4-(3-ethyl-4-methylpiperazin-1-yl)butanenitrile has a molecular weight of 238.38 g/mol, XLogP of 0.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-4-(3-ethyl-4-methylpiperazin-1-yl)butanenitrile is sourced from PubChem (CID 63634010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).