2-[3-(diethylamino)propylamino]-N-prop-2-enylpropanamide

C13H27N3O — CID 43087344

IUPAC2-[3-(diethylamino)propylamino]-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)C(C)NCCCN(CC)CC
InChIInChI=1S/C13H27N3O/c1-5-9-15-13(17)12(4)14-10-8-11-16(6-2)7-3/h5,12,14H,1,6-11H2,2-4H3,(H,15,17)
InChIKeyLBUXJCSXVUWRNS-UHFFFAOYSA-N
MW241.38 g/mol
LogP1.00
Rot. Bonds10

About 2-[3-(diethylamino)propylamino]-N-prop-2-enylpropanamide

2-[3-(diethylamino)propylamino]-N-prop-2-enylpropanamide (PubChem CID 43087344) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is 2-[3-(diethylamino)propylamino]-N-prop-2-enylpropanamide.

Molecular Properties

Compound Name2-[3-(diethylamino)propylamino]-N-prop-2-enylpropanamide
PubChem CID43087344
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC Name2-[3-(diethylamino)propylamino]-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)C(C)NCCCN(CC)CC
InChIInChI=1S/C13H27N3O/c1-5-9-15-13(17)12(4)14-10-8-11-16(6-2)7-3/h5,12,14H,1,6-11H2,2-4H3,(H,15,17)
InChIKeyLBUXJCSXVUWRNS-UHFFFAOYSA-N
XLogP1.00
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[[3-(diethylamino)-3-oxopropyl]amino]-N-prop-2-enylpropanamide
CID 113225823
2-[2-(diethylamino)ethylamino]-N-prop-2-ynylpropanamide
CID 43112763
2-hydroxy-3-[[1-oxo-1-(prop-2-enylamino)propan-2-yl]amino]propanamide
CID 106174665
2-(3-phenylbutylamino)-N-prop-2-enylpropanamide
CID 62404774
ethyl 2-[[1-oxo-1-(prop-2-enylamino)propan-2-yl]amino]acetate
CID 60811246
2-methyl-N-prop-2-enylbutanamide
CID 20811204
(2R)-2-methyl-N-prop-2-enylbutanamide
CID 55303611
2-(2-methoxypropylamino)-N-prop-2-enylpropanamide
CID 102697960
N-ethyl-2-(3-hydroxypropylamino)propanamide
CID 43392791
N-[3-(diethylamino)propyl]-2,2-difluoroacetamide
CID 103600714
2-[2-(diethylamino)ethylamino]-N-(ethylcarbamoyl)propanamide
CID 43083312
2-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]-N-prop-2-enylpropanamide
CID 107865308

Frequently Asked Questions

What is the IUPAC name of 2-[3-(diethylamino)propylamino]-N-prop-2-enylpropanamide?
The IUPAC name of 2-[3-(diethylamino)propylamino]-N-prop-2-enylpropanamide (CID 43087344) is 2-[3-(diethylamino)propylamino]-N-prop-2-enylpropanamide.
What is the SMILES notation for 2-[3-(diethylamino)propylamino]-N-prop-2-enylpropanamide?
The canonical SMILES for 2-[3-(diethylamino)propylamino]-N-prop-2-enylpropanamide is C=CCNC(=O)C(C)NCCCN(CC)CC.
What is the InChIKey of 2-[3-(diethylamino)propylamino]-N-prop-2-enylpropanamide?
The InChIKey is LBUXJCSXVUWRNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-5-9-15-13(17)12(4)14-10-8-11-16(6-2)7-3/h5,12,14H,1,6-11H2,2-4H3,(H,15,17).
What are the key properties of 2-[3-(diethylamino)propylamino]-N-prop-2-enylpropanamide?
2-[3-(diethylamino)propylamino]-N-prop-2-enylpropanamide has a molecular weight of 241.38 g/mol, XLogP of 1.00, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(diethylamino)propylamino]-N-prop-2-enylpropanamide is sourced from PubChem (CID 43087344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).