2-[ethyl(piperazin-1-yl)amino]-2-methylpropanedinitrile

C10H17N5 — CID 87219789

IUPAC2-[ethyl(piperazin-1-yl)amino]-2-methylpropanedinitrile
SMILESCCN(N1CCNCC1)C(C)(C#N)C#N
InChIInChI=1S/C10H17N5/c1-3-15(10(2,8-11)9-12)14-6-4-13-5-7-14/h13H,3-7H2,1-2H3
InChIKeyCCKHVKNZVQZBCZ-UHFFFAOYSA-N
MW207.28 g/mol
LogP-0.07
Rot. Bonds3

About 2-[ethyl(piperazin-1-yl)amino]-2-methylpropanedinitrile

2-[ethyl(piperazin-1-yl)amino]-2-methylpropanedinitrile (PubChem CID 87219789) has the molecular formula C10H17N5 and a molecular weight of 207.28 g/mol. Its IUPAC name is 2-[ethyl(piperazin-1-yl)amino]-2-methylpropanedinitrile.

Molecular Properties

Compound Name2-[ethyl(piperazin-1-yl)amino]-2-methylpropanedinitrile
PubChem CID87219789
Molecular FormulaC10H17N5
Molecular Weight207.28 g/mol
Exact Mass207.15
IUPAC Name2-[ethyl(piperazin-1-yl)amino]-2-methylpropanedinitrile
SMILESCCN(N1CCNCC1)C(C)(C#N)C#N
InChIInChI=1S/C10H17N5/c1-3-15(10(2,8-11)9-12)14-6-4-13-5-7-14/h13H,3-7H2,1-2H3
InChIKeyCCKHVKNZVQZBCZ-UHFFFAOYSA-N
XLogP-0.07
TPSA66.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(piperazin-1-yl)amino]-2-methylpropanedinitrile?
The IUPAC name of 2-[ethyl(piperazin-1-yl)amino]-2-methylpropanedinitrile (CID 87219789) is 2-[ethyl(piperazin-1-yl)amino]-2-methylpropanedinitrile.
What is the SMILES notation for 2-[ethyl(piperazin-1-yl)amino]-2-methylpropanedinitrile?
The canonical SMILES for 2-[ethyl(piperazin-1-yl)amino]-2-methylpropanedinitrile is CCN(N1CCNCC1)C(C)(C#N)C#N.
What is the InChIKey of 2-[ethyl(piperazin-1-yl)amino]-2-methylpropanedinitrile?
The InChIKey is CCKHVKNZVQZBCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5/c1-3-15(10(2,8-11)9-12)14-6-4-13-5-7-14/h13H,3-7H2,1-2H3.
What are the key properties of 2-[ethyl(piperazin-1-yl)amino]-2-methylpropanedinitrile?
2-[ethyl(piperazin-1-yl)amino]-2-methylpropanedinitrile has a molecular weight of 207.28 g/mol, XLogP of -0.07, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(piperazin-1-yl)amino]-2-methylpropanedinitrile is sourced from PubChem (CID 87219789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).