3-(cyanomethylamino)-N-cyclopropylpropanamide

C8H13N3O — CID 79394850

IUPAC3-(cyanomethylamino)-N-cyclopropylpropanamide
SMILESN#CCNCCC(=O)NC1CC1
InChIInChI=1S/C8H13N3O/c9-4-6-10-5-3-8(12)11-7-1-2-7/h7,10H,1-3,5-6H2,(H,11,12)
InChIKeyZTEKSRJXNLFARK-UHFFFAOYSA-N
MW167.21 g/mol
LogP-0.23
Rot. Bonds5

About 3-(cyanomethylamino)-N-cyclopropylpropanamide

3-(cyanomethylamino)-N-cyclopropylpropanamide (PubChem CID 79394850) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 3-(cyanomethylamino)-N-cyclopropylpropanamide.

Molecular Properties

Compound Name3-(cyanomethylamino)-N-cyclopropylpropanamide
PubChem CID79394850
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name3-(cyanomethylamino)-N-cyclopropylpropanamide
SMILESN#CCNCCC(=O)NC1CC1
InChIInChI=1S/C8H13N3O/c9-4-6-10-5-3-8(12)11-7-1-2-7/h7,10H,1-3,5-6H2,(H,11,12)
InChIKeyZTEKSRJXNLFARK-UHFFFAOYSA-N
XLogP-0.23
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopropyl-3-[[3-(cyclopropylamino)-3-oxopropyl]amino]propanamide
CID 79394765
N-cyclopropyl-3-(2-methylpropylamino)propanamide
CID 62626467
N-cyclopropyl-3-(2-methylsulfanylethylamino)propanamide
CID 62352584
N-cyclopropyl-3-[(2-methoxy-2-methylpropyl)amino]propanamide
CID 104760412
2-cyano-N-[3-(cyclopropylamino)-3-oxopropyl]propanamide
CID 79401165
N,N'-dicyclopropylbutanediamide
CID 5225156
N-cyclopropyl-3-(octylamino)propanamide
CID 79393740
N-cyclopropyl-3-(2-methylidenebutylamino)propanamide
CID 79394684
N-cyclopropyl-3-[[2-(ethylamino)-2-oxoethyl]amino]propanamide
CID 62626302
N-cyclopropyl-4-[[3-(methylamino)-3-oxopropyl]amino]butanamide
CID 79394133
N-cyclopropyl-3-[2-(3-methoxypropoxy)ethylamino]propanamide
CID 103179172
3-[[3-(cyclopropylamino)-3-oxopropyl]amino]-2,2-dimethylpropanoic acid
CID 79623575

Frequently Asked Questions

What is the IUPAC name of 3-(cyanomethylamino)-N-cyclopropylpropanamide?
The IUPAC name of 3-(cyanomethylamino)-N-cyclopropylpropanamide (CID 79394850) is 3-(cyanomethylamino)-N-cyclopropylpropanamide.
What is the SMILES notation for 3-(cyanomethylamino)-N-cyclopropylpropanamide?
The canonical SMILES for 3-(cyanomethylamino)-N-cyclopropylpropanamide is N#CCNCCC(=O)NC1CC1.
What is the InChIKey of 3-(cyanomethylamino)-N-cyclopropylpropanamide?
The InChIKey is ZTEKSRJXNLFARK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c9-4-6-10-5-3-8(12)11-7-1-2-7/h7,10H,1-3,5-6H2,(H,11,12).
What are the key properties of 3-(cyanomethylamino)-N-cyclopropylpropanamide?
3-(cyanomethylamino)-N-cyclopropylpropanamide has a molecular weight of 167.21 g/mol, XLogP of -0.23, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyanomethylamino)-N-cyclopropylpropanamide is sourced from PubChem (CID 79394850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).