N-(2-cyanoethyl)-2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]acetamide

C12H24N4O — CID 28572608

IUPACN-(2-cyanoethyl)-2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]acetamide
SMILESCN(C)CC(C)(C)CNCC(=O)NCCC#N
InChIInChI=1S/C12H24N4O/c1-12(2,10-16(3)4)9-14-8-11(17)15-7-5-6-13/h14H,5,7-10H2,1-4H3,(H,15,17)
InChIKeyDSJRYWJQHLHURM-UHFFFAOYSA-N
MW240.35 g/mol
LogP0.19
Rot. Bonds8

About N-(2-cyanoethyl)-2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]acetamide

N-(2-cyanoethyl)-2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]acetamide (PubChem CID 28572608) has the molecular formula C12H24N4O and a molecular weight of 240.35 g/mol. Its IUPAC name is N-(2-cyanoethyl)-2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]acetamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]acetamide
PubChem CID28572608
Molecular FormulaC12H24N4O
Molecular Weight240.35 g/mol
Exact Mass240.20
IUPAC NameN-(2-cyanoethyl)-2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]acetamide
SMILESCN(C)CC(C)(C)CNCC(=O)NCCC#N
InChIInChI=1S/C12H24N4O/c1-12(2,10-16(3)4)9-14-8-11(17)15-7-5-6-13/h14H,5,7-10H2,1-4H3,(H,15,17)
InChIKeyDSJRYWJQHLHURM-UHFFFAOYSA-N
XLogP0.19
TPSA68.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-cyanoethyl)-2-[(2,3-dihydroxy-2-methylpropyl)amino]acetamide
CID 66185310
3-[[2-(2-cyanoethylamino)-2-oxoethyl]amino]-N,2,2-trimethylpropanamide
CID 114167383
5-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-4,4-dimethylpentanenitrile
CID 115651171
N-(2-cyanoethyl)-2-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]acetamide
CID 114164681
2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-N-(2-methylbutan-2-yl)acetamide
CID 60672282
2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]acetamide
CID 28572507
N-(2-cyanoethyl)-2-[2-[methyl(propan-2-yl)amino]ethylamino]acetamide
CID 62640317
2-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-N-propylacetamide
CID 106147606
N-butan-2-yl-2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]acetamide
CID 43179646
2-[[2-(2-cyanoethylamino)-2-oxoethyl]amino]-2-methylpropanamide
CID 61219041
5-(2-cyanoethylamino)-3,3-dimethyl-5-oxopentanoic acid
CID 62933016
2-[[2-(2-cyanoethylamino)-2-oxoethyl]-methylamino]-2-methylpropanoic acid
CID 62821797

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]acetamide?
The IUPAC name of N-(2-cyanoethyl)-2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]acetamide (CID 28572608) is N-(2-cyanoethyl)-2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]acetamide.
What is the SMILES notation for N-(2-cyanoethyl)-2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]acetamide?
The canonical SMILES for N-(2-cyanoethyl)-2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]acetamide is CN(C)CC(C)(C)CNCC(=O)NCCC#N.
What is the InChIKey of N-(2-cyanoethyl)-2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]acetamide?
The InChIKey is DSJRYWJQHLHURM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O/c1-12(2,10-16(3)4)9-14-8-11(17)15-7-5-6-13/h14H,5,7-10H2,1-4H3,(H,15,17).
What are the key properties of N-(2-cyanoethyl)-2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]acetamide?
N-(2-cyanoethyl)-2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]acetamide has a molecular weight of 240.35 g/mol, XLogP of 0.19, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]acetamide is sourced from PubChem (CID 28572608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).