2-[cyanomethyl(propyl)amino]-N-methylacetamide

C8H15N3O — CID 61068678

IUPAC2-[cyanomethyl(propyl)amino]-N-methylacetamide
SMILESCCCN(CC#N)CC(=O)NC
InChIInChI=1S/C8H15N3O/c1-3-5-11(6-4-9)7-8(12)10-2/h3,5-7H2,1-2H3,(H,10,12)
InChIKeyLYKORKPKFUERDQ-UHFFFAOYSA-N
MW169.23 g/mol
LogP-0.03
Rot. Bonds5

About 2-[cyanomethyl(propyl)amino]-N-methylacetamide

2-[cyanomethyl(propyl)amino]-N-methylacetamide (PubChem CID 61068678) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is 2-[cyanomethyl(propyl)amino]-N-methylacetamide.

Molecular Properties

Compound Name2-[cyanomethyl(propyl)amino]-N-methylacetamide
PubChem CID61068678
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC Name2-[cyanomethyl(propyl)amino]-N-methylacetamide
SMILESCCCN(CC#N)CC(=O)NC
InChIInChI=1S/C8H15N3O/c1-3-5-11(6-4-9)7-8(12)10-2/h3,5-7H2,1-2H3,(H,10,12)
InChIKeyLYKORKPKFUERDQ-UHFFFAOYSA-N
XLogP-0.03
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-2-[3-oxobutyl(propyl)amino]acetamide
CID 62036736
N-(4-bromophenyl)-2-[cyanomethyl(propyl)amino]acetamide
CID 60563519
3-[[2-(methylamino)-2-oxoethyl]-propylamino]propanamide
CID 61066515
2-[cyanomethyl(propyl)amino]-N-(4-phenylphenyl)acetamide
CID 47069088
N-methyl-2-[4-oxohexyl(propyl)amino]acetamide
CID 106801369
3-(dipropylamino)-N-methylpropanamide
CID 90814262
2-[(2-cyanophenyl)methyl-propylamino]-N-methylacetamide
CID 54978738
2-amino-3-[[2-(methylamino)-2-oxoethyl]-propylamino]propanoic acid
CID 65473819
2-[(2-bromoacetyl)-propylamino]-N-methylacetamide
CID 63680296
2-[(3-hydrazinyl-2-methyl-3-oxopropyl)-propylamino]-N-methylacetamide
CID 63584441
2-[(4-cyano-2-methylphenyl)methyl-propylamino]-N-methylacetamide
CID 114481086
2-[(4-hydroxy-3,5-dimethylphenyl)methyl-propylamino]-N-methylacetamide
CID 82986749

Frequently Asked Questions

What is the IUPAC name of 2-[cyanomethyl(propyl)amino]-N-methylacetamide?
The IUPAC name of 2-[cyanomethyl(propyl)amino]-N-methylacetamide (CID 61068678) is 2-[cyanomethyl(propyl)amino]-N-methylacetamide.
What is the SMILES notation for 2-[cyanomethyl(propyl)amino]-N-methylacetamide?
The canonical SMILES for 2-[cyanomethyl(propyl)amino]-N-methylacetamide is CCCN(CC#N)CC(=O)NC.
What is the InChIKey of 2-[cyanomethyl(propyl)amino]-N-methylacetamide?
The InChIKey is LYKORKPKFUERDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O/c1-3-5-11(6-4-9)7-8(12)10-2/h3,5-7H2,1-2H3,(H,10,12).
What are the key properties of 2-[cyanomethyl(propyl)amino]-N-methylacetamide?
2-[cyanomethyl(propyl)amino]-N-methylacetamide has a molecular weight of 169.23 g/mol, XLogP of -0.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyanomethyl(propyl)amino]-N-methylacetamide is sourced from PubChem (CID 61068678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).