3-(3-cyanopropylamino)propanamide

C7H13N3O — CID 43553561

IUPAC3-(3-cyanopropylamino)propanamide
SMILESN#CCCCNCCC(N)=O
InChIInChI=1S/C7H13N3O/c8-4-1-2-5-10-6-3-7(9)11/h10H,1-3,5-6H2,(H2,9,11)
InChIKeyOXYLIXLCDWTUPC-UHFFFAOYSA-N
MW155.20 g/mol
LogP-0.24
Rot. Bonds6

About 3-(3-cyanopropylamino)propanamide

3-(3-cyanopropylamino)propanamide (PubChem CID 43553561) has the molecular formula C7H13N3O and a molecular weight of 155.20 g/mol. Its IUPAC name is 3-(3-cyanopropylamino)propanamide.

Molecular Properties

Compound Name3-(3-cyanopropylamino)propanamide
PubChem CID43553561
Molecular FormulaC7H13N3O
Molecular Weight155.20 g/mol
Exact Mass155.11
IUPAC Name3-(3-cyanopropylamino)propanamide
SMILESN#CCCCNCCC(N)=O
InChIInChI=1S/C7H13N3O/c8-4-1-2-5-10-6-3-7(9)11/h10H,1-3,5-6H2,(H2,9,11)
InChIKeyOXYLIXLCDWTUPC-UHFFFAOYSA-N
XLogP-0.24
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

10-cyanodecanamide
CID 87916786
3-(hex-5-ynylamino)propanamide
CID 106211456
3-cyanopropylurea
CID 62667023
3-[3-(3-aminopropylamino)propylamino]propanamide
CID 87496464
3-(5-hydroxypentylamino)propanamide
CID 62227149
3-(3-cyanopropylamino)butanamide
CID 104537137
3-(3-propan-2-yloxypropylamino)propanamide
CID 2502548
2-amino-N-(3-cyanopropyl)acetamide
CID 62666255
4-(cyanomethylamino)butanenitrile
CID 91395805
3-(aminomethylamino)propanamide
CID 123274483
4-(propylamino)butanamide
CID 21468794
3-(3-ethylsulfanylpropylamino)propanamide
CID 104586816

Frequently Asked Questions

What is the IUPAC name of 3-(3-cyanopropylamino)propanamide?
The IUPAC name of 3-(3-cyanopropylamino)propanamide (CID 43553561) is 3-(3-cyanopropylamino)propanamide.
What is the SMILES notation for 3-(3-cyanopropylamino)propanamide?
The canonical SMILES for 3-(3-cyanopropylamino)propanamide is N#CCCCNCCC(N)=O.
What is the InChIKey of 3-(3-cyanopropylamino)propanamide?
The InChIKey is OXYLIXLCDWTUPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O/c8-4-1-2-5-10-6-3-7(9)11/h10H,1-3,5-6H2,(H2,9,11).
What are the key properties of 3-(3-cyanopropylamino)propanamide?
3-(3-cyanopropylamino)propanamide has a molecular weight of 155.20 g/mol, XLogP of -0.24, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyanopropylamino)propanamide is sourced from PubChem (CID 43553561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).