N-(2-cyanoethyl)-N-methyl-4-(methylamino)butanamide

C9H17N3O — CID 60841865

IUPACN-(2-cyanoethyl)-N-methyl-4-(methylamino)butanamide
SMILESCNCCCC(=O)N(C)CCC#N
InChIInChI=1S/C9H17N3O/c1-11-7-3-5-9(13)12(2)8-4-6-10/h11H,3-5,7-8H2,1-2H3
InChIKeyIYZZORGNWINHRC-UHFFFAOYSA-N
MW183.25 g/mol
LogP0.36
Rot. Bonds6

About N-(2-cyanoethyl)-N-methyl-4-(methylamino)butanamide

N-(2-cyanoethyl)-N-methyl-4-(methylamino)butanamide (PubChem CID 60841865) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N-methyl-4-(methylamino)butanamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N-methyl-4-(methylamino)butanamide
PubChem CID60841865
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC NameN-(2-cyanoethyl)-N-methyl-4-(methylamino)butanamide
SMILESCNCCCC(=O)N(C)CCC#N
InChIInChI=1S/C9H17N3O/c1-11-7-3-5-9(13)12(2)8-4-6-10/h11H,3-5,7-8H2,1-2H3
InChIKeyIYZZORGNWINHRC-UHFFFAOYSA-N
XLogP0.36
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-cyanoethyl)-N-methyl-4-(propan-2-ylamino)butanamide
CID 60850594
N-(2-cyanoethyl)-4-(methylamino)-N-propan-2-ylbutanamide
CID 60841146
N-(2-cyanoethyl)-4-(methylamino)-N-(2-methylpropyl)butanamide
CID 60964117
N-(2-cyanoethyl)-2-hydroxy-N-methylacetamide
CID 43289856
N-(2-cyanoethyl)-N-methyl-3-[methyl-[2-(methylamino)-2-oxoethyl]amino]propanamide
CID 43374873
8-[methyl-[4-(methylamino)butanoyl]amino]octanoic acid
CID 156569276
4-chloro-N-[4-[2-cyanoethyl(methyl)amino]-4-oxobutyl]benzamide
CID 78796616
N-(2-cyanoethyl)-3-[2-(dimethylamino)ethyl-methylamino]-N-methylpropanamide
CID 55228110
N-(2-cyanoethyl)-3-methoxy-N-methylpropanamide
CID 43289311
N-(2-cyanoethyl)-N-methylpropanamide
CID 21036687
N-(2-cyanoethyl)-N-methyl-3-[2-(methylamino)-2-oxoethyl]sulfonylpropanamide
CID 114232257
N,N-dimethyl-4-(methylamino)butanamide;ethane
CID 163270647

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-N-methyl-4-(methylamino)butanamide?
The IUPAC name of N-(2-cyanoethyl)-N-methyl-4-(methylamino)butanamide (CID 60841865) is N-(2-cyanoethyl)-N-methyl-4-(methylamino)butanamide.
What is the SMILES notation for N-(2-cyanoethyl)-N-methyl-4-(methylamino)butanamide?
The canonical SMILES for N-(2-cyanoethyl)-N-methyl-4-(methylamino)butanamide is CNCCCC(=O)N(C)CCC#N.
What is the InChIKey of N-(2-cyanoethyl)-N-methyl-4-(methylamino)butanamide?
The InChIKey is IYZZORGNWINHRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O/c1-11-7-3-5-9(13)12(2)8-4-6-10/h11H,3-5,7-8H2,1-2H3.
What are the key properties of N-(2-cyanoethyl)-N-methyl-4-(methylamino)butanamide?
N-(2-cyanoethyl)-N-methyl-4-(methylamino)butanamide has a molecular weight of 183.25 g/mol, XLogP of 0.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-N-methyl-4-(methylamino)butanamide is sourced from PubChem (CID 60841865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).