3-(3-ethyl-4-methylpiperazin-1-yl)-2-methyl-2-(methylamino)propanenitrile

C12H24N4 — CID 63634175

IUPAC3-(3-ethyl-4-methylpiperazin-1-yl)-2-methyl-2-(methylamino)propanenitrile
SMILESCCC1CN(CC(C)(C#N)NC)CCN1C
InChIInChI=1S/C12H24N4/c1-5-11-8-16(7-6-15(11)4)10-12(2,9-13)14-3/h11,14H,5-8,10H2,1-4H3
InChIKeyNVLRXILUYVIYSG-UHFFFAOYSA-N
MW224.35 g/mol
LogP0.51
Rot. Bonds4

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

3-(3-ethyl-4-methylpiperazin-1-yl)-2-methyl-2-(methylamino)propanenitrile (PubChem CID 63634175) has the molecular formula C12H24N4 and a molecular weight of 224.35 g/mol. Its IUPAC name is 3-(3-ethyl-4-methylpiperazin-1-yl)-2-methyl-2-(methylamino)propanenitrile.

Molecular Properties

Compound Name3-(3-ethyl-4-methylpiperazin-1-yl)-2-methyl-2-(methylamino)propanenitrile
PubChem CID63634175
Molecular FormulaC12H24N4
Molecular Weight224.35 g/mol
Exact Mass224.20
IUPAC Name3-(3-ethyl-4-methylpiperazin-1-yl)-2-methyl-2-(methylamino)propanenitrile
SMILESCCC1CN(CC(C)(C#N)NC)CCN1C
InChIInChI=1S/C12H24N4/c1-5-11-8-16(7-6-15(11)4)10-12(2,9-13)14-3/h11,14H,5-8,10H2,1-4H3
InChIKeyNVLRXILUYVIYSG-UHFFFAOYSA-N
XLogP0.51
TPSA42.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
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 3-(3-ethyl-4-methylpiperazin-1-yl)-2-methyl-2-(methylamino)propanenitrile?
The IUPAC name of 3-(3-ethyl-4-methylpiperazin-1-yl)-2-methyl-2-(methylamino)propanenitrile (CID 63634175) is 3-(3-ethyl-4-methylpiperazin-1-yl)-2-methyl-2-(methylamino)propanenitrile.
What is the SMILES notation for 3-(3-ethyl-4-methylpiperazin-1-yl)-2-methyl-2-(methylamino)propanenitrile?
The canonical SMILES for 3-(3-ethyl-4-methylpiperazin-1-yl)-2-methyl-2-(methylamino)propanenitrile is CCC1CN(CC(C)(C#N)NC)CCN1C.
What is the InChIKey of 3-(3-ethyl-4-methylpiperazin-1-yl)-2-methyl-2-(methylamino)propanenitrile?
The InChIKey is NVLRXILUYVIYSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4/c1-5-11-8-16(7-6-15(11)4)10-12(2,9-13)14-3/h11,14H,5-8,10H2,1-4H3.
What are the key properties of 3-(3-ethyl-4-methylpiperazin-1-yl)-2-methyl-2-(methylamino)propanenitrile?
3-(3-ethyl-4-methylpiperazin-1-yl)-2-methyl-2-(methylamino)propanenitrile has a molecular weight of 224.35 g/mol, XLogP of 0.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethyl-4-methylpiperazin-1-yl)-2-methyl-2-(methylamino)propanenitrile is sourced from PubChem (CID 63634175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).