3-[2,2-dimethylpropyl-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]amino]propanenitrile

C13H22N4O2 — CID 56787440

IUPAC3-[2,2-dimethylpropyl-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]amino]propanenitrile
SMILESCC(C)(C)CN(CCC#N)CC(=O)N1CCNC1=O
InChIInChI=1S/C13H22N4O2/c1-13(2,3)10-16(7-4-5-14)9-11(18)17-8-6-15-12(17)19/h4,6-10H2,1-3H3,(H,15,19)
InChIKeyBCBHCBPZTRGFHT-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.80
Rot. Bonds5

About 3-[2,2-dimethylpropyl-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]amino]propanenitrile

3-[2,2-dimethylpropyl-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]amino]propanenitrile (PubChem CID 56787440) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 3-[2,2-dimethylpropyl-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]amino]propanenitrile.

Molecular Properties

Compound Name3-[2,2-dimethylpropyl-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]amino]propanenitrile
PubChem CID56787440
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name3-[2,2-dimethylpropyl-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]amino]propanenitrile
SMILESCC(C)(C)CN(CCC#N)CC(=O)N1CCNC1=O
InChIInChI=1S/C13H22N4O2/c1-13(2,3)10-16(7-4-5-14)9-11(18)17-8-6-15-12(17)19/h4,6-10H2,1-3H3,(H,15,19)
InChIKeyBCBHCBPZTRGFHT-UHFFFAOYSA-N
XLogP0.80
TPSA76.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2,2-dimethylpropyl-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]amino]propanenitrile?
The IUPAC name of 3-[2,2-dimethylpropyl-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]amino]propanenitrile (CID 56787440) is 3-[2,2-dimethylpropyl-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]amino]propanenitrile.
What is the SMILES notation for 3-[2,2-dimethylpropyl-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]amino]propanenitrile?
The canonical SMILES for 3-[2,2-dimethylpropyl-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]amino]propanenitrile is CC(C)(C)CN(CCC#N)CC(=O)N1CCNC1=O.
What is the InChIKey of 3-[2,2-dimethylpropyl-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]amino]propanenitrile?
The InChIKey is BCBHCBPZTRGFHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-13(2,3)10-16(7-4-5-14)9-11(18)17-8-6-15-12(17)19/h4,6-10H2,1-3H3,(H,15,19).
What are the key properties of 3-[2,2-dimethylpropyl-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]amino]propanenitrile?
3-[2,2-dimethylpropyl-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]amino]propanenitrile has a molecular weight of 266.34 g/mol, XLogP of 0.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,2-dimethylpropyl-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]amino]propanenitrile is sourced from PubChem (CID 56787440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).