3-[2-cyanoethyl(cyclopropyl)amino]-N,N-dimethylpropanamide

C11H19N3O — CID 55149424

IUPAC3-[2-cyanoethyl(cyclopropyl)amino]-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCN(CCC#N)C1CC1
InChIInChI=1S/C11H19N3O/c1-13(2)11(15)6-9-14(8-3-7-12)10-4-5-10/h10H,3-6,8-9H2,1-2H3
InChIKeyVGQYJCXIRKDOOJ-UHFFFAOYSA-N
MW209.29 g/mol
LogP0.84
Rot. Bonds6

About 3-[2-cyanoethyl(cyclopropyl)amino]-N,N-dimethylpropanamide

3-[2-cyanoethyl(cyclopropyl)amino]-N,N-dimethylpropanamide (PubChem CID 55149424) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 3-[2-cyanoethyl(cyclopropyl)amino]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-[2-cyanoethyl(cyclopropyl)amino]-N,N-dimethylpropanamide
PubChem CID55149424
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name3-[2-cyanoethyl(cyclopropyl)amino]-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCN(CCC#N)C1CC1
InChIInChI=1S/C11H19N3O/c1-13(2)11(15)6-9-14(8-3-7-12)10-4-5-10/h10H,3-6,8-9H2,1-2H3
InChIKeyVGQYJCXIRKDOOJ-UHFFFAOYSA-N
XLogP0.84
TPSA47.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyanoethyl)-3-[2-cyanoethyl(cyclopropyl)amino]-N-methylpropanamide
CID 54996850
N-(2-cyanoethyl)-3-[cyclobutyl(3-hydroxypropyl)amino]-N-methylpropanamide
CID 102848562
3-[3-aminopropyl(cyclopropyl)amino]-N,N-dimethylpropanamide
CID 60960646
N-(2-cyanoethyl)-3-[cyclopentyl(ethyl)amino]-N-methylpropanamide
CID 43541122
3-[cyclopropyl(5-hydroxypentyl)amino]propanenitrile
CID 62229709
3-[cyclopropyl(6-hydroxyhexyl)amino]propanenitrile
CID 103738654
N-(2-cyanoethyl)-2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-N-methylacetamide
CID 55011427
3-[cyclopropyl(2-oxoethyl)amino]propanenitrile
CID 62037220
N-(2-cyanoethyl)-2-[cyclopropyl(3-methylbutyl)amino]-N-methylacetamide
CID 113223487
3-[cyclopropyl(3-fluoropropyl)amino]propanenitrile
CID 81105424
3-[ethyl-(4-methylcyclohexyl)amino]propanenitrile
CID 62048384
3-chloro-N-(2-cyanoethyl)-N-cyclopropylpropanamide
CID 61038810

Frequently Asked Questions

What is the IUPAC name of 3-[2-cyanoethyl(cyclopropyl)amino]-N,N-dimethylpropanamide?
The IUPAC name of 3-[2-cyanoethyl(cyclopropyl)amino]-N,N-dimethylpropanamide (CID 55149424) is 3-[2-cyanoethyl(cyclopropyl)amino]-N,N-dimethylpropanamide.
What is the SMILES notation for 3-[2-cyanoethyl(cyclopropyl)amino]-N,N-dimethylpropanamide?
The canonical SMILES for 3-[2-cyanoethyl(cyclopropyl)amino]-N,N-dimethylpropanamide is CN(C)C(=O)CCN(CCC#N)C1CC1.
What is the InChIKey of 3-[2-cyanoethyl(cyclopropyl)amino]-N,N-dimethylpropanamide?
The InChIKey is VGQYJCXIRKDOOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-13(2)11(15)6-9-14(8-3-7-12)10-4-5-10/h10H,3-6,8-9H2,1-2H3.
What are the key properties of 3-[2-cyanoethyl(cyclopropyl)amino]-N,N-dimethylpropanamide?
3-[2-cyanoethyl(cyclopropyl)amino]-N,N-dimethylpropanamide has a molecular weight of 209.29 g/mol, XLogP of 0.84, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-cyanoethyl(cyclopropyl)amino]-N,N-dimethylpropanamide is sourced from PubChem (CID 55149424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).