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

C12H24N4 — CID 63635760

IUPAC2-(ethylamino)-3-(4-ethyl-3-methylpiperazin-1-yl)propanenitrile
SMILESCCNC(C#N)CN1CCN(CC)C(C)C1
InChIInChI=1S/C12H24N4/c1-4-14-12(8-13)10-15-6-7-16(5-2)11(3)9-15/h11-12,14H,4-7,9-10H2,1-3H3
InChIKeyCXWHLFBDIGQNRP-UHFFFAOYSA-N
MW224.35 g/mol
LogP0.51
Rot. Bonds5

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

2-(ethylamino)-3-(4-ethyl-3-methylpiperazin-1-yl)propanenitrile (PubChem CID 63635760) has the molecular formula C12H24N4 and a molecular weight of 224.35 g/mol. Its IUPAC name is 2-(ethylamino)-3-(4-ethyl-3-methylpiperazin-1-yl)propanenitrile.

Molecular Properties

Compound Name2-(ethylamino)-3-(4-ethyl-3-methylpiperazin-1-yl)propanenitrile
PubChem CID63635760
Molecular FormulaC12H24N4
Molecular Weight224.35 g/mol
Exact Mass224.20
IUPAC Name2-(ethylamino)-3-(4-ethyl-3-methylpiperazin-1-yl)propanenitrile
SMILESCCNC(C#N)CN1CCN(CC)C(C)C1
InChIInChI=1S/C12H24N4/c1-4-14-12(8-13)10-15-6-7-16(5-2)11(3)9-15/h11-12,14H,4-7,9-10H2,1-3H3
InChIKeyCXWHLFBDIGQNRP-UHFFFAOYSA-N
XLogP0.51
TPSA42.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-3-(4-ethyl-3-methylpiperazin-1-yl)propanenitrile?
The IUPAC name of 2-(ethylamino)-3-(4-ethyl-3-methylpiperazin-1-yl)propanenitrile (CID 63635760) is 2-(ethylamino)-3-(4-ethyl-3-methylpiperazin-1-yl)propanenitrile.
What is the SMILES notation for 2-(ethylamino)-3-(4-ethyl-3-methylpiperazin-1-yl)propanenitrile?
The canonical SMILES for 2-(ethylamino)-3-(4-ethyl-3-methylpiperazin-1-yl)propanenitrile is CCNC(C#N)CN1CCN(CC)C(C)C1.
What is the InChIKey of 2-(ethylamino)-3-(4-ethyl-3-methylpiperazin-1-yl)propanenitrile?
The InChIKey is CXWHLFBDIGQNRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4/c1-4-14-12(8-13)10-15-6-7-16(5-2)11(3)9-15/h11-12,14H,4-7,9-10H2,1-3H3.
What are the key properties of 2-(ethylamino)-3-(4-ethyl-3-methylpiperazin-1-yl)propanenitrile?
2-(ethylamino)-3-(4-ethyl-3-methylpiperazin-1-yl)propanenitrile has a molecular weight of 224.35 g/mol, XLogP of 0.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-3-(4-ethyl-3-methylpiperazin-1-yl)propanenitrile is sourced from PubChem (CID 63635760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).