3-cyano-3-[2-(diethylamino)ethylamino]-N,N-dimethylpropanamide

C12H24N4O — CID 66432290

IUPAC3-cyano-3-[2-(diethylamino)ethylamino]-N,N-dimethylpropanamide
SMILESCCN(CC)CCNC(C#N)CC(=O)N(C)C
InChIInChI=1S/C12H24N4O/c1-5-16(6-2)8-7-14-11(10-13)9-12(17)15(3)4/h11,14H,5-9H2,1-4H3
InChIKeyFJTCDOSNUAVJNA-UHFFFAOYSA-N
MW240.35 g/mol
LogP0.29
Rot. Bonds8

About 3-cyano-3-[2-(diethylamino)ethylamino]-N,N-dimethylpropanamide

3-cyano-3-[2-(diethylamino)ethylamino]-N,N-dimethylpropanamide (PubChem CID 66432290) has the molecular formula C12H24N4O and a molecular weight of 240.35 g/mol. Its IUPAC name is 3-cyano-3-[2-(diethylamino)ethylamino]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-cyano-3-[2-(diethylamino)ethylamino]-N,N-dimethylpropanamide
PubChem CID66432290
Molecular FormulaC12H24N4O
Molecular Weight240.35 g/mol
Exact Mass240.20
IUPAC Name3-cyano-3-[2-(diethylamino)ethylamino]-N,N-dimethylpropanamide
SMILESCCN(CC)CCNC(C#N)CC(=O)N(C)C
InChIInChI=1S/C12H24N4O/c1-5-16(6-2)8-7-14-11(10-13)9-12(17)15(3)4/h11,14H,5-9H2,1-4H3
InChIKeyFJTCDOSNUAVJNA-UHFFFAOYSA-N
XLogP0.29
TPSA59.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyano-N,N-dimethyl-3-(propylamino)propanamide
CID 66430847
2-[2-(diethylamino)ethylamino]-4-oxo-4-pyrrolidin-1-ylbutanenitrile
CID 66432333
2-[2-(diethylamino)ethylamino]-4-methylpentanenitrile
CID 61005347
3-cyano-3-[2-(dimethylamino)ethylamino]propanamide
CID 66427341
2-[2-(diethylamino)ethylamino]-4,4-dimethoxybutanenitrile
CID 66270526
2-[2-[ethyl(methyl)amino]ethylamino]butanenitrile
CID 62636607
3-anilino-3-cyano-N,N-dimethylpropanamide
CID 66431052
2-[2-(diethylamino)ethylamino]-3,3-dimethylbutanenitrile
CID 61324357
2-[2-cyanopropyl(ethyl)amino]-N,N-dimethylacetamide
CID 61450794
ethyl 2-[2-(diethylamino)ethylamino]pentanoate
CID 54890434
4-amino-3-[2-(diethylamino)ethylamino]-N-propan-2-ylbutanamide
CID 66430169
ethyl 2-[2-(diethylamino)ethylamino]-3,3-dimethylbutanoate
CID 61325588

Frequently Asked Questions

What is the IUPAC name of 3-cyano-3-[2-(diethylamino)ethylamino]-N,N-dimethylpropanamide?
The IUPAC name of 3-cyano-3-[2-(diethylamino)ethylamino]-N,N-dimethylpropanamide (CID 66432290) is 3-cyano-3-[2-(diethylamino)ethylamino]-N,N-dimethylpropanamide.
What is the SMILES notation for 3-cyano-3-[2-(diethylamino)ethylamino]-N,N-dimethylpropanamide?
The canonical SMILES for 3-cyano-3-[2-(diethylamino)ethylamino]-N,N-dimethylpropanamide is CCN(CC)CCNC(C#N)CC(=O)N(C)C.
What is the InChIKey of 3-cyano-3-[2-(diethylamino)ethylamino]-N,N-dimethylpropanamide?
The InChIKey is FJTCDOSNUAVJNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O/c1-5-16(6-2)8-7-14-11(10-13)9-12(17)15(3)4/h11,14H,5-9H2,1-4H3.
What are the key properties of 3-cyano-3-[2-(diethylamino)ethylamino]-N,N-dimethylpropanamide?
3-cyano-3-[2-(diethylamino)ethylamino]-N,N-dimethylpropanamide has a molecular weight of 240.35 g/mol, XLogP of 0.29, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-3-[2-(diethylamino)ethylamino]-N,N-dimethylpropanamide is sourced from PubChem (CID 66432290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).