2-[2-(diethylamino)ethylamino]-N-prop-2-ynylpropanamide

C12H23N3O — CID 43112763

IUPAC2-[2-(diethylamino)ethylamino]-N-prop-2-ynylpropanamide
SMILESC#CCNC(=O)C(C)NCCN(CC)CC
InChIInChI=1S/C12H23N3O/c1-5-8-14-12(16)11(4)13-9-10-15(6-2)7-3/h1,11,13H,6-10H2,2-4H3,(H,14,16)
InChIKeyIOANGCGUIVBHEF-UHFFFAOYSA-N
MW225.34 g/mol
LogP0.06
Rot. Bonds8

About 2-[2-(diethylamino)ethylamino]-N-prop-2-ynylpropanamide

2-[2-(diethylamino)ethylamino]-N-prop-2-ynylpropanamide (PubChem CID 43112763) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 2-[2-(diethylamino)ethylamino]-N-prop-2-ynylpropanamide.

Molecular Properties

Compound Name2-[2-(diethylamino)ethylamino]-N-prop-2-ynylpropanamide
PubChem CID43112763
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name2-[2-(diethylamino)ethylamino]-N-prop-2-ynylpropanamide
SMILESC#CCNC(=O)C(C)NCCN(CC)CC
InChIInChI=1S/C12H23N3O/c1-5-8-14-12(16)11(4)13-9-10-15(6-2)7-3/h1,11,13H,6-10H2,2-4H3,(H,14,16)
InChIKeyIOANGCGUIVBHEF-UHFFFAOYSA-N
XLogP0.06
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 50.06
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-[ethyl(propyl)amino]ethylamino]-N-prop-2-ynylpropanamide
CID 114133454
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-(ethylcarbamoyl)propanamide
CID 43083312
2-[2-(diethylamino)ethylamino]-N-pentan-2-ylpropanamide
CID 43112761
2-[2-(2-hydroxyethoxy)ethylamino]-N-prop-2-ynylpropanamide
CID 60720256
2-[(5-hydroxy-4-methylpentyl)amino]-N-prop-2-ynylpropanamide
CID 106160085
N-ethyl-2-(prop-2-ynylamino)propanamide
CID 43086396
2-[3-(diethylamino)propylamino]-N-prop-2-enylpropanamide
CID 43087344
2-(2-methylprop-2-enylamino)-N-prop-2-ynylpropanamide
CID 114616816
2-(2-ethoxypropylamino)-N-prop-2-ynylpropanamide
CID 115663958
2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-N-prop-2-ynylpropanamide
CID 107852454

Frequently Asked Questions

What is the IUPAC name of 2-[2-(diethylamino)ethylamino]-N-prop-2-ynylpropanamide?
The IUPAC name of 2-[2-(diethylamino)ethylamino]-N-prop-2-ynylpropanamide (CID 43112763) is 2-[2-(diethylamino)ethylamino]-N-prop-2-ynylpropanamide.
What is the SMILES notation for 2-[2-(diethylamino)ethylamino]-N-prop-2-ynylpropanamide?
The canonical SMILES for 2-[2-(diethylamino)ethylamino]-N-prop-2-ynylpropanamide is C#CCNC(=O)C(C)NCCN(CC)CC.
What is the InChIKey of 2-[2-(diethylamino)ethylamino]-N-prop-2-ynylpropanamide?
The InChIKey is IOANGCGUIVBHEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-5-8-14-12(16)11(4)13-9-10-15(6-2)7-3/h1,11,13H,6-10H2,2-4H3,(H,14,16).
What are the key properties of 2-[2-(diethylamino)ethylamino]-N-prop-2-ynylpropanamide?
2-[2-(diethylamino)ethylamino]-N-prop-2-ynylpropanamide has a molecular weight of 225.34 g/mol, XLogP of 0.06, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(diethylamino)ethylamino]-N-prop-2-ynylpropanamide is sourced from PubChem (CID 43112763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).