2-methyl-2-(methylamino)-4-[4-(2-methylpropyl)piperazin-1-yl]pentanenitrile

C15H30N4 — CID 64727115

IUPAC2-methyl-2-(methylamino)-4-[4-(2-methylpropyl)piperazin-1-yl]pentanenitrile
SMILESCNC(C)(C#N)CC(C)N1CCN(CC(C)C)CC1
InChIInChI=1S/C15H30N4/c1-13(2)11-18-6-8-19(9-7-18)14(3)10-15(4,12-16)17-5/h13-14,17H,6-11H2,1-5H3
InChIKeyDPUCDJADNWTFPI-UHFFFAOYSA-N
MW266.43 g/mol
LogP1.54
Rot. Bonds6

About 2-methyl-2-(methylamino)-4-[4-(2-methylpropyl)piperazin-1-yl]pentanenitrile

2-methyl-2-(methylamino)-4-[4-(2-methylpropyl)piperazin-1-yl]pentanenitrile (PubChem CID 64727115) has the molecular formula C15H30N4 and a molecular weight of 266.43 g/mol. Its IUPAC name is 2-methyl-2-(methylamino)-4-[4-(2-methylpropyl)piperazin-1-yl]pentanenitrile.

Molecular Properties

Compound Name2-methyl-2-(methylamino)-4-[4-(2-methylpropyl)piperazin-1-yl]pentanenitrile
PubChem CID64727115
Molecular FormulaC15H30N4
Molecular Weight266.43 g/mol
Exact Mass266.25
IUPAC Name2-methyl-2-(methylamino)-4-[4-(2-methylpropyl)piperazin-1-yl]pentanenitrile
SMILESCNC(C)(C#N)CC(C)N1CCN(CC(C)C)CC1
InChIInChI=1S/C15H30N4/c1-13(2)11-18-6-8-19(9-7-18)14(3)10-15(4,12-16)17-5/h13-14,17H,6-11H2,1-5H3
InChIKeyDPUCDJADNWTFPI-UHFFFAOYSA-N
XLogP1.54
TPSA42.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(methylamino)-4-[4-(2-methylpropyl)piperazin-1-yl]pentanenitrile?
The IUPAC name of 2-methyl-2-(methylamino)-4-[4-(2-methylpropyl)piperazin-1-yl]pentanenitrile (CID 64727115) is 2-methyl-2-(methylamino)-4-[4-(2-methylpropyl)piperazin-1-yl]pentanenitrile.
What is the SMILES notation for 2-methyl-2-(methylamino)-4-[4-(2-methylpropyl)piperazin-1-yl]pentanenitrile?
The canonical SMILES for 2-methyl-2-(methylamino)-4-[4-(2-methylpropyl)piperazin-1-yl]pentanenitrile is CNC(C)(C#N)CC(C)N1CCN(CC(C)C)CC1.
What is the InChIKey of 2-methyl-2-(methylamino)-4-[4-(2-methylpropyl)piperazin-1-yl]pentanenitrile?
The InChIKey is DPUCDJADNWTFPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4/c1-13(2)11-18-6-8-19(9-7-18)14(3)10-15(4,12-16)17-5/h13-14,17H,6-11H2,1-5H3.
What are the key properties of 2-methyl-2-(methylamino)-4-[4-(2-methylpropyl)piperazin-1-yl]pentanenitrile?
2-methyl-2-(methylamino)-4-[4-(2-methylpropyl)piperazin-1-yl]pentanenitrile has a molecular weight of 266.43 g/mol, XLogP of 1.54, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(methylamino)-4-[4-(2-methylpropyl)piperazin-1-yl]pentanenitrile is sourced from PubChem (CID 64727115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).