N-(2-cyanoethyl)-N-methyl-3-[methyl(pentan-3-yl)amino]propanamide

C13H25N3O — CID 43571057

IUPACN-(2-cyanoethyl)-N-methyl-3-[methyl(pentan-3-yl)amino]propanamide
SMILESCCC(CC)N(C)CCC(=O)N(C)CCC#N
InChIInChI=1S/C13H25N3O/c1-5-12(6-2)15(3)11-8-13(17)16(4)10-7-9-14/h12H,5-8,10-11H2,1-4H3
InChIKeyIEYFQPURXMARCK-UHFFFAOYSA-N
MW239.36 g/mol
LogP1.87
Rot. Bonds8

About N-(2-cyanoethyl)-N-methyl-3-[methyl(pentan-3-yl)amino]propanamide

N-(2-cyanoethyl)-N-methyl-3-[methyl(pentan-3-yl)amino]propanamide (PubChem CID 43571057) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N-methyl-3-[methyl(pentan-3-yl)amino]propanamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N-methyl-3-[methyl(pentan-3-yl)amino]propanamide
PubChem CID43571057
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC NameN-(2-cyanoethyl)-N-methyl-3-[methyl(pentan-3-yl)amino]propanamide
SMILESCCC(CC)N(C)CCC(=O)N(C)CCC#N
InChIInChI=1S/C13H25N3O/c1-5-12(6-2)15(3)11-8-13(17)16(4)10-7-9-14/h12H,5-8,10-11H2,1-4H3
InChIKeyIEYFQPURXMARCK-UHFFFAOYSA-N
XLogP1.87
TPSA47.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-(2-cyanoethyl)-N-methyl-3-[methyl(pentan-3-yl)amino]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-cyanoethyl)-N-methyl-3-[methyl(1-methylsulfanylpropan-2-yl)amino]propanamide
CID 112706646
N-(2-cyanoethyl)-N-methyl-3-[methyl(2-methylpropyl)amino]propanamide
CID 43289053
N-(2-cyanoethyl)-2-hydroxy-N-methylacetamide
CID 43289856
N-(2-cyanoethyl)-N-methylpropanamide
CID 21036687
N-(2-cyanoethyl)-3-[2-(dimethylamino)ethyl-methylamino]-N-methylpropanamide
CID 55228110
N-(2-cyanoethyl)-2-[1-cyanopropan-2-yl(methyl)amino]-N-methylacetamide
CID 55219777
N-(2-cyanoethyl)-3-[2-cyanopropyl(ethyl)amino]-N-methylpropanamide
CID 54988279
N-(2-cyanoethyl)-3-methoxy-N-methylpropanamide
CID 43289311
3-[bis(2-amino-2-oxoethyl)amino]-N-(2-cyanoethyl)-N-methylpropanamide
CID 55157025
N-(2-cyanoethyl)-N-methyl-3-[methyl(2-propan-2-yloxyethyl)amino]propanamide
CID 81056168
N-(2-cyanoethyl)-N-methyl-3-[methyl-[2-(methylamino)-2-oxoethyl]amino]propanamide
CID 43374873
3-(aminomethyl)-N-(2-cyanoethyl)-N-methylpentanamide
CID 81071138

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-N-methyl-3-[methyl(pentan-3-yl)amino]propanamide?
The IUPAC name of N-(2-cyanoethyl)-N-methyl-3-[methyl(pentan-3-yl)amino]propanamide (CID 43571057) is N-(2-cyanoethyl)-N-methyl-3-[methyl(pentan-3-yl)amino]propanamide.
What is the SMILES notation for N-(2-cyanoethyl)-N-methyl-3-[methyl(pentan-3-yl)amino]propanamide?
The canonical SMILES for N-(2-cyanoethyl)-N-methyl-3-[methyl(pentan-3-yl)amino]propanamide is CCC(CC)N(C)CCC(=O)N(C)CCC#N.
What is the InChIKey of N-(2-cyanoethyl)-N-methyl-3-[methyl(pentan-3-yl)amino]propanamide?
The InChIKey is IEYFQPURXMARCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-5-12(6-2)15(3)11-8-13(17)16(4)10-7-9-14/h12H,5-8,10-11H2,1-4H3.
What are the key properties of N-(2-cyanoethyl)-N-methyl-3-[methyl(pentan-3-yl)amino]propanamide?
N-(2-cyanoethyl)-N-methyl-3-[methyl(pentan-3-yl)amino]propanamide has a molecular weight of 239.36 g/mol, XLogP of 1.87, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-N-methyl-3-[methyl(pentan-3-yl)amino]propanamide is sourced from PubChem (CID 43571057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).