4-(propylamino)butanamide

C7H16N2O — CID 21468794

IUPAC4-(propylamino)butanamide
SMILESCCCNCCCC(N)=O
InChIInChI=1S/C7H16N2O/c1-2-5-9-6-3-4-7(8)10/h9H,2-6H2,1H3,(H2,8,10)
InChIKeyISQNGOCFXMZNBP-UHFFFAOYSA-N
MW144.22 g/mol
LogP0.25
Rot. Bonds6

About 4-(propylamino)butanamide

4-(propylamino)butanamide (PubChem CID 21468794) has the molecular formula C7H16N2O and a molecular weight of 144.22 g/mol. Its IUPAC name is 4-(propylamino)butanamide.

Molecular Properties

Compound Name4-(propylamino)butanamide
PubChem CID21468794
Molecular FormulaC7H16N2O
Molecular Weight144.22 g/mol
Exact Mass144.13
IUPAC Name4-(propylamino)butanamide
SMILESCCCNCCCC(N)=O
InChIInChI=1S/C7H16N2O/c1-2-5-9-6-3-4-7(8)10/h9H,2-6H2,1H3,(H2,8,10)
InChIKeyISQNGOCFXMZNBP-UHFFFAOYSA-N
XLogP0.25
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.22
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[4-(tetradecylamino)butylamino]butanamide
CID 175024979
6-(decylamino)hexanamide
CID 13292350
12-(hexylamino)dodecanamide
CID 174861179
4-[2-[2-[2-(propylamino)ethylamino]ethylamino]ethylamino]butanoic acid
CID 175848152
1-chloro-5-(propylamino)pentan-2-one
CID 88823675
ethyl 4-(propylamino)butanoate;hydrochloride
CID 88662585
acetamide;N-butylbutan-1-amine
CID 172792447
2-(propylamino)acetamide
CID 15839438
5-(propylamino)pentanoic acid
CID 103691549
2-(2-hydroxyethylamino)ethanol;3-(octadecylamino)propanamide
CID 175210983
5-(2-propoxyethylamino)pentanamide
CID 106237519
CID 158833027
CID 158833027

Frequently Asked Questions

What is the IUPAC name of 4-(propylamino)butanamide?
The IUPAC name of 4-(propylamino)butanamide (CID 21468794) is 4-(propylamino)butanamide.
What is the SMILES notation for 4-(propylamino)butanamide?
The canonical SMILES for 4-(propylamino)butanamide is CCCNCCCC(N)=O.
What is the InChIKey of 4-(propylamino)butanamide?
The InChIKey is ISQNGOCFXMZNBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O/c1-2-5-9-6-3-4-7(8)10/h9H,2-6H2,1H3,(H2,8,10).
What are the key properties of 4-(propylamino)butanamide?
4-(propylamino)butanamide has a molecular weight of 144.22 g/mol, XLogP of 0.25, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(propylamino)butanamide is sourced from PubChem (CID 21468794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).