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

C12H23N3O — CID 43289053

IUPACN-(2-cyanoethyl)-N-methyl-3-[methyl(2-methylpropyl)amino]propanamide
SMILESCC(C)CN(C)CCC(=O)N(C)CCC#N
InChIInChI=1S/C12H23N3O/c1-11(2)10-14(3)9-6-12(16)15(4)8-5-7-13/h11H,5-6,8-10H2,1-4H3
InChIKeyNAMYIYLRIDNUQC-UHFFFAOYSA-N
MW225.34 g/mol
LogP1.34
Rot. Bonds7

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

N-(2-cyanoethyl)-N-methyl-3-[methyl(2-methylpropyl)amino]propanamide (PubChem CID 43289053) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N-methyl-3-[methyl(2-methylpropyl)amino]propanamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N-methyl-3-[methyl(2-methylpropyl)amino]propanamide
PubChem CID43289053
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC NameN-(2-cyanoethyl)-N-methyl-3-[methyl(2-methylpropyl)amino]propanamide
SMILESCC(C)CN(C)CCC(=O)N(C)CCC#N
InChIInChI=1S/C12H23N3O/c1-11(2)10-14(3)9-6-12(16)15(4)8-5-7-13/h11H,5-6,8-10H2,1-4H3
InChIKeyNAMYIYLRIDNUQC-UHFFFAOYSA-N
XLogP1.34
TPSA47.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyanoethyl)-3-[2-(dimethylamino)ethyl-methylamino]-N-methylpropanamide
CID 55228110
N-(2-cyanoethyl)-N-methyl-3-[methyl(2-propan-2-yloxyethyl)amino]propanamide
CID 81056168
N-(2-cyanoethyl)-2-hydroxy-N-methylacetamide
CID 43289856
N-(2-cyanoethyl)-3-[2-cyanopropyl(ethyl)amino]-N-methylpropanamide
CID 54988279
N-(2-cyanoethyl)-N-methyl-3-[methyl(pentan-3-yl)amino]propanamide
CID 43571057
N-(2-cyanoethyl)-N-methyl-3-[methyl(1-methylsulfanylpropan-2-yl)amino]propanamide
CID 112706646
N-(2-cyanoethyl)-N-methyl-3-[methyl-[2-(methylamino)-2-oxoethyl]amino]propanamide
CID 43374873
5-amino-N-(2-cyanoethyl)-N,4-dimethylpentanamide
CID 82017217
N-(2-cyanoethyl)-N-methyl-4-(propan-2-ylamino)butanamide
CID 60850594
N-(2-cyanoethyl)-3-(3-hydroxybutan-2-ylsulfanyl)-N-methylpropanamide
CID 107770644
N-(2-cyanoethyl)-3-methoxy-N-methylpropanamide
CID 43289311
N-(2-cyanoethyl)-N-methylpropanamide
CID 21036687

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-N-methyl-3-[methyl(2-methylpropyl)amino]propanamide?
The IUPAC name of N-(2-cyanoethyl)-N-methyl-3-[methyl(2-methylpropyl)amino]propanamide (CID 43289053) is N-(2-cyanoethyl)-N-methyl-3-[methyl(2-methylpropyl)amino]propanamide.
What is the SMILES notation for N-(2-cyanoethyl)-N-methyl-3-[methyl(2-methylpropyl)amino]propanamide?
The canonical SMILES for N-(2-cyanoethyl)-N-methyl-3-[methyl(2-methylpropyl)amino]propanamide is CC(C)CN(C)CCC(=O)N(C)CCC#N.
What is the InChIKey of N-(2-cyanoethyl)-N-methyl-3-[methyl(2-methylpropyl)amino]propanamide?
The InChIKey is NAMYIYLRIDNUQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-11(2)10-14(3)9-6-12(16)15(4)8-5-7-13/h11H,5-6,8-10H2,1-4H3.
What are the key properties of N-(2-cyanoethyl)-N-methyl-3-[methyl(2-methylpropyl)amino]propanamide?
N-(2-cyanoethyl)-N-methyl-3-[methyl(2-methylpropyl)amino]propanamide has a molecular weight of 225.34 g/mol, XLogP of 1.34, 7 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(2-methylpropyl)amino]propanamide is sourced from PubChem (CID 43289053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).