4-(4-ethylpiperazin-1-yl)-2-methyl-2-(propan-2-ylamino)pentanenitrile

C15H30N4 — CID 64699341

IUPAC4-(4-ethylpiperazin-1-yl)-2-methyl-2-(propan-2-ylamino)pentanenitrile
SMILESCCN1CCN(C(C)CC(C)(C#N)NC(C)C)CC1
InChIInChI=1S/C15H30N4/c1-6-18-7-9-19(10-8-18)14(4)11-15(5,12-16)17-13(2)3/h13-14,17H,6-11H2,1-5H3
InChIKeyJFPVVRGLPLBFCD-UHFFFAOYSA-N
MW266.43 g/mol
LogP1.68
Rot. Bonds6

About 4-(4-ethylpiperazin-1-yl)-2-methyl-2-(propan-2-ylamino)pentanenitrile

4-(4-ethylpiperazin-1-yl)-2-methyl-2-(propan-2-ylamino)pentanenitrile (PubChem CID 64699341) has the molecular formula C15H30N4 and a molecular weight of 266.43 g/mol. Its IUPAC name is 4-(4-ethylpiperazin-1-yl)-2-methyl-2-(propan-2-ylamino)pentanenitrile.

Molecular Properties

Compound Name4-(4-ethylpiperazin-1-yl)-2-methyl-2-(propan-2-ylamino)pentanenitrile
PubChem CID64699341
Molecular FormulaC15H30N4
Molecular Weight266.43 g/mol
Exact Mass266.25
IUPAC Name4-(4-ethylpiperazin-1-yl)-2-methyl-2-(propan-2-ylamino)pentanenitrile
SMILESCCN1CCN(C(C)CC(C)(C#N)NC(C)C)CC1
InChIInChI=1S/C15H30N4/c1-6-18-7-9-19(10-8-18)14(4)11-15(5,12-16)17-13(2)3/h13-14,17H,6-11H2,1-5H3
InChIKeyJFPVVRGLPLBFCD-UHFFFAOYSA-N
XLogP1.68
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 ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylpiperazin-1-yl)-2-methyl-2-(propan-2-ylamino)pentanenitrile?
The IUPAC name of 4-(4-ethylpiperazin-1-yl)-2-methyl-2-(propan-2-ylamino)pentanenitrile (CID 64699341) is 4-(4-ethylpiperazin-1-yl)-2-methyl-2-(propan-2-ylamino)pentanenitrile.
What is the SMILES notation for 4-(4-ethylpiperazin-1-yl)-2-methyl-2-(propan-2-ylamino)pentanenitrile?
The canonical SMILES for 4-(4-ethylpiperazin-1-yl)-2-methyl-2-(propan-2-ylamino)pentanenitrile is CCN1CCN(C(C)CC(C)(C#N)NC(C)C)CC1.
What is the InChIKey of 4-(4-ethylpiperazin-1-yl)-2-methyl-2-(propan-2-ylamino)pentanenitrile?
The InChIKey is JFPVVRGLPLBFCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4/c1-6-18-7-9-19(10-8-18)14(4)11-15(5,12-16)17-13(2)3/h13-14,17H,6-11H2,1-5H3.
What are the key properties of 4-(4-ethylpiperazin-1-yl)-2-methyl-2-(propan-2-ylamino)pentanenitrile?
4-(4-ethylpiperazin-1-yl)-2-methyl-2-(propan-2-ylamino)pentanenitrile has a molecular weight of 266.43 g/mol, XLogP of 1.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylpiperazin-1-yl)-2-methyl-2-(propan-2-ylamino)pentanenitrile is sourced from PubChem (CID 64699341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).