2-[2-[ethyl(propyl)amino]ethylamino]-N-prop-2-ynylpropanamide

C13H25N3O — CID 114133454

IUPAC2-[2-[ethyl(propyl)amino]ethylamino]-N-prop-2-ynylpropanamide
SMILESC#CCNC(=O)C(C)NCCN(CC)CCC
InChIInChI=1S/C13H25N3O/c1-5-8-15-13(17)12(4)14-9-11-16(7-3)10-6-2/h1,12,14H,6-11H2,2-4H3,(H,15,17)
InChIKeyOTUOACCCBHMBGH-UHFFFAOYSA-N
MW239.36 g/mol
LogP0.45
Rot. Bonds9

About 2-[2-[ethyl(propyl)amino]ethylamino]-N-prop-2-ynylpropanamide

2-[2-[ethyl(propyl)amino]ethylamino]-N-prop-2-ynylpropanamide (PubChem CID 114133454) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 2-[2-[ethyl(propyl)amino]ethylamino]-N-prop-2-ynylpropanamide.

Molecular Properties

Compound Name2-[2-[ethyl(propyl)amino]ethylamino]-N-prop-2-ynylpropanamide
PubChem CID114133454
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name2-[2-[ethyl(propyl)amino]ethylamino]-N-prop-2-ynylpropanamide
SMILESC#CCNC(=O)C(C)NCCN(CC)CCC
InChIInChI=1S/C13H25N3O/c1-5-8-15-13(17)12(4)14-9-11-16(7-3)10-6-2/h1,12,14H,6-11H2,2-4H3,(H,15,17)
InChIKeyOTUOACCCBHMBGH-UHFFFAOYSA-N
XLogP0.45
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(diethylamino)ethylamino]-N-prop-2-ynylpropanamide
CID 43112763
2-(2-aminoethylamino)-N-prop-2-ynylpropanamide
CID 62140900
3-[[1-oxo-1-(prop-2-ynylamino)propan-2-yl]amino]propanoic acid
CID 43466719
2-[2-(diethylamino)ethylamino]-N-pentan-2-ylpropanamide
CID 43112761
2-[2-(diethylamino)ethylamino]-N-(ethylcarbamoyl)propanamide
CID 43083312
N-[2-[ethyl(propyl)amino]ethyl]-2,2-difluoroacetamide
CID 107168084
2-[(5-hydroxy-4-methylpentyl)amino]-N-prop-2-ynylpropanamide
CID 106160085
2-[2-(2-hydroxyethoxy)ethylamino]-N-prop-2-ynylpropanamide
CID 60720256
N-ethyl-2-(prop-2-ynylamino)propanamide
CID 43086396
N-butyl-2-[2-[ethyl(methyl)amino]ethylamino]propanamide
CID 62641738
2-(2-methylprop-2-enylamino)-N-prop-2-ynylpropanamide
CID 114616816
2-(2-ethoxypropylamino)-N-prop-2-ynylpropanamide
CID 115663958

Frequently Asked Questions

What is the IUPAC name of 2-[2-[ethyl(propyl)amino]ethylamino]-N-prop-2-ynylpropanamide?
The IUPAC name of 2-[2-[ethyl(propyl)amino]ethylamino]-N-prop-2-ynylpropanamide (CID 114133454) is 2-[2-[ethyl(propyl)amino]ethylamino]-N-prop-2-ynylpropanamide.
What is the SMILES notation for 2-[2-[ethyl(propyl)amino]ethylamino]-N-prop-2-ynylpropanamide?
The canonical SMILES for 2-[2-[ethyl(propyl)amino]ethylamino]-N-prop-2-ynylpropanamide is C#CCNC(=O)C(C)NCCN(CC)CCC.
What is the InChIKey of 2-[2-[ethyl(propyl)amino]ethylamino]-N-prop-2-ynylpropanamide?
The InChIKey is OTUOACCCBHMBGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-5-8-15-13(17)12(4)14-9-11-16(7-3)10-6-2/h1,12,14H,6-11H2,2-4H3,(H,15,17).
What are the key properties of 2-[2-[ethyl(propyl)amino]ethylamino]-N-prop-2-ynylpropanamide?
2-[2-[ethyl(propyl)amino]ethylamino]-N-prop-2-ynylpropanamide has a molecular weight of 239.36 g/mol, XLogP of 0.45, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[ethyl(propyl)amino]ethylamino]-N-prop-2-ynylpropanamide is sourced from PubChem (CID 114133454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).