2-[3-cyanopropyl(2-methylpropyl)amino]acetamide

C10H19N3O — CID 60969371

IUPAC2-[3-cyanopropyl(2-methylpropyl)amino]acetamide
SMILESCC(C)CN(CCCC#N)CC(N)=O
InChIInChI=1S/C10H19N3O/c1-9(2)7-13(8-10(12)14)6-4-3-5-11/h9H,3-4,6-8H2,1-2H3,(H2,12,14)
InChIKeyYMIMRVWTCYDHFB-UHFFFAOYSA-N
MW197.28 g/mol
LogP0.73
Rot. Bonds7

About 2-[3-cyanopropyl(2-methylpropyl)amino]acetamide

2-[3-cyanopropyl(2-methylpropyl)amino]acetamide (PubChem CID 60969371) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is 2-[3-cyanopropyl(2-methylpropyl)amino]acetamide.

Molecular Properties

Compound Name2-[3-cyanopropyl(2-methylpropyl)amino]acetamide
PubChem CID60969371
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name2-[3-cyanopropyl(2-methylpropyl)amino]acetamide
SMILESCC(C)CN(CCCC#N)CC(N)=O
InChIInChI=1S/C10H19N3O/c1-9(2)7-13(8-10(12)14)6-4-3-5-11/h9H,3-4,6-8H2,1-2H3,(H2,12,14)
InChIKeyYMIMRVWTCYDHFB-UHFFFAOYSA-N
XLogP0.73
TPSA70.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 50.73
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

3-[2-methylpropyl(4-oxopentyl)amino]propanenitrile
CID 62052627
2-[[1-(cyanomethyl)cyclopropyl]methyl-(2-methylpropyl)amino]acetamide
CID 65493629
5-[2-cyanoethyl(2-methylpropyl)amino]pentanenitrile
CID 55028946
2-[2-methylpropyl(prop-2-ynyl)amino]acetamide
CID 60969370
N-tert-butyl-2-[2-cyanoethyl(2-methylpropyl)amino]acetamide
CID 54940342
2-[(4-amino-3,3-dimethylbutyl)-(2-methylpropyl)amino]acetamide
CID 65246940
2-[(4-cyanophenyl)methyl-(2-methylpropyl)amino]acetamide
CID 54942559
3-[2-methylpropyl-(2-oxo-2-piperidin-1-ylethyl)amino]propanenitrile
CID 54940259
hydrazinyl 3-[(2-amino-2-oxoethyl)-(2-methylpropyl)amino]propanoate
CID 66338779
2-[2-cyanoethyl(2-methoxyethyl)amino]acetamide
CID 55137484
5-amino-N-(2-cyanoethyl)-N-(2-methylpropyl)hexanamide
CID 82852097
2-amino-N-(2-cyanoethyl)-N-(2-methylpropyl)butanediamide
CID 54873716

Frequently Asked Questions

What is the IUPAC name of 2-[3-cyanopropyl(2-methylpropyl)amino]acetamide?
The IUPAC name of 2-[3-cyanopropyl(2-methylpropyl)amino]acetamide (CID 60969371) is 2-[3-cyanopropyl(2-methylpropyl)amino]acetamide.
What is the SMILES notation for 2-[3-cyanopropyl(2-methylpropyl)amino]acetamide?
The canonical SMILES for 2-[3-cyanopropyl(2-methylpropyl)amino]acetamide is CC(C)CN(CCCC#N)CC(N)=O.
What is the InChIKey of 2-[3-cyanopropyl(2-methylpropyl)amino]acetamide?
The InChIKey is YMIMRVWTCYDHFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-9(2)7-13(8-10(12)14)6-4-3-5-11/h9H,3-4,6-8H2,1-2H3,(H2,12,14).
What are the key properties of 2-[3-cyanopropyl(2-methylpropyl)amino]acetamide?
2-[3-cyanopropyl(2-methylpropyl)amino]acetamide has a molecular weight of 197.28 g/mol, XLogP of 0.73, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-cyanopropyl(2-methylpropyl)amino]acetamide is sourced from PubChem (CID 60969371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).