2,3-diamino-2-ethyl-3-piperazin-1-ylpentanenitrile

C11H23N5 — CID 57087393

IUPAC2,3-diamino-2-ethyl-3-piperazin-1-ylpentanenitrile
SMILESCCC(N)(C#N)C(N)(CC)N1CCNCC1
InChIInChI=1S/C11H23N5/c1-3-10(13,9-12)11(14,4-2)16-7-5-15-6-8-16/h15H,3-8,13-14H2,1-2H3
InChIKeyZDDNULGUVOBNIF-UHFFFAOYSA-N
MW225.34 g/mol
LogP-0.41
Rot. Bonds4

About 2,3-diamino-2-ethyl-3-piperazin-1-ylpentanenitrile

2,3-diamino-2-ethyl-3-piperazin-1-ylpentanenitrile (PubChem CID 57087393) has the molecular formula C11H23N5 and a molecular weight of 225.34 g/mol. Its IUPAC name is 2,3-diamino-2-ethyl-3-piperazin-1-ylpentanenitrile.

Molecular Properties

Compound Name2,3-diamino-2-ethyl-3-piperazin-1-ylpentanenitrile
PubChem CID57087393
Molecular FormulaC11H23N5
Molecular Weight225.34 g/mol
Exact Mass225.20
IUPAC Name2,3-diamino-2-ethyl-3-piperazin-1-ylpentanenitrile
SMILESCCC(N)(C#N)C(N)(CC)N1CCNCC1
InChIInChI=1S/C11H23N5/c1-3-10(13,9-12)11(14,4-2)16-7-5-15-6-8-16/h15H,3-8,13-14H2,1-2H3
InChIKeyZDDNULGUVOBNIF-UHFFFAOYSA-N
XLogP-0.41
TPSA91.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 5-0.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,3-diamino-2-ethyl-3-piperazin-1-ylpentanenitrile?
The IUPAC name of 2,3-diamino-2-ethyl-3-piperazin-1-ylpentanenitrile (CID 57087393) is 2,3-diamino-2-ethyl-3-piperazin-1-ylpentanenitrile.
What is the SMILES notation for 2,3-diamino-2-ethyl-3-piperazin-1-ylpentanenitrile?
The canonical SMILES for 2,3-diamino-2-ethyl-3-piperazin-1-ylpentanenitrile is CCC(N)(C#N)C(N)(CC)N1CCNCC1.
What is the InChIKey of 2,3-diamino-2-ethyl-3-piperazin-1-ylpentanenitrile?
The InChIKey is ZDDNULGUVOBNIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N5/c1-3-10(13,9-12)11(14,4-2)16-7-5-15-6-8-16/h15H,3-8,13-14H2,1-2H3.
What are the key properties of 2,3-diamino-2-ethyl-3-piperazin-1-ylpentanenitrile?
2,3-diamino-2-ethyl-3-piperazin-1-ylpentanenitrile has a molecular weight of 225.34 g/mol, XLogP of -0.41, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diamino-2-ethyl-3-piperazin-1-ylpentanenitrile is sourced from PubChem (CID 57087393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).