3-cyano-3-[2-(dimethylamino)ethylamino]propanamide

C8H16N4O — CID 66427341

IUPAC3-cyano-3-[2-(dimethylamino)ethylamino]propanamide
SMILESCN(C)CCNC(C#N)CC(N)=O
InChIInChI=1S/C8H16N4O/c1-12(2)4-3-11-7(6-9)5-8(10)13/h7,11H,3-5H2,1-2H3,(H2,10,13)
InChIKeyJHUFRCKLGMXGAJ-UHFFFAOYSA-N
MW184.24 g/mol
LogP-1.09
Rot. Bonds6

About 3-cyano-3-[2-(dimethylamino)ethylamino]propanamide

3-cyano-3-[2-(dimethylamino)ethylamino]propanamide (PubChem CID 66427341) has the molecular formula C8H16N4O and a molecular weight of 184.24 g/mol. Its IUPAC name is 3-cyano-3-[2-(dimethylamino)ethylamino]propanamide.

Molecular Properties

Compound Name3-cyano-3-[2-(dimethylamino)ethylamino]propanamide
PubChem CID66427341
Molecular FormulaC8H16N4O
Molecular Weight184.24 g/mol
Exact Mass184.13
IUPAC Name3-cyano-3-[2-(dimethylamino)ethylamino]propanamide
SMILESCN(C)CCNC(C#N)CC(N)=O
InChIInChI=1S/C8H16N4O/c1-12(2)4-3-11-7(6-9)5-8(10)13/h7,11H,3-5H2,1-2H3,(H2,10,13)
InChIKeyJHUFRCKLGMXGAJ-UHFFFAOYSA-N
XLogP-1.09
TPSA82.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 5-1.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyano-3-[2-(dimethylamino)ethylamino]propanamide?
The IUPAC name of 3-cyano-3-[2-(dimethylamino)ethylamino]propanamide (CID 66427341) is 3-cyano-3-[2-(dimethylamino)ethylamino]propanamide.
What is the SMILES notation for 3-cyano-3-[2-(dimethylamino)ethylamino]propanamide?
The canonical SMILES for 3-cyano-3-[2-(dimethylamino)ethylamino]propanamide is CN(C)CCNC(C#N)CC(N)=O.
What is the InChIKey of 3-cyano-3-[2-(dimethylamino)ethylamino]propanamide?
The InChIKey is JHUFRCKLGMXGAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4O/c1-12(2)4-3-11-7(6-9)5-8(10)13/h7,11H,3-5H2,1-2H3,(H2,10,13).
What are the key properties of 3-cyano-3-[2-(dimethylamino)ethylamino]propanamide?
3-cyano-3-[2-(dimethylamino)ethylamino]propanamide has a molecular weight of 184.24 g/mol, XLogP of -1.09, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-3-[2-(dimethylamino)ethylamino]propanamide is sourced from PubChem (CID 66427341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).