3-(but-3-ynylamino)-N,N-dimethylpropanamide

C9H16N2O — CID 63656065

IUPAC3-(but-3-ynylamino)-N,N-dimethylpropanamide
SMILESC#CCCNCCC(=O)N(C)C
InChIInChI=1S/C9H16N2O/c1-4-5-7-10-8-6-9(12)11(2)3/h1,10H,5-8H2,2-3H3
InChIKeyPLPVFFYMOIMDMI-UHFFFAOYSA-N
MW168.24 g/mol
LogP0.08
Rot. Bonds5

About 3-(but-3-ynylamino)-N,N-dimethylpropanamide

3-(but-3-ynylamino)-N,N-dimethylpropanamide (PubChem CID 63656065) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 3-(but-3-ynylamino)-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-(but-3-ynylamino)-N,N-dimethylpropanamide
PubChem CID63656065
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name3-(but-3-ynylamino)-N,N-dimethylpropanamide
SMILESC#CCCNCCC(=O)N(C)C
InChIInChI=1S/C9H16N2O/c1-4-5-7-10-8-6-9(12)11(2)3/h1,10H,5-8H2,2-3H3
InChIKeyPLPVFFYMOIMDMI-UHFFFAOYSA-N
XLogP0.08
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(but-3-ynylamino)-N,N-dimethylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(hex-5-ynylamino)-N,N-dimethylpropanamide
CID 106211989
3-(2-aminoethylamino)-N,N-dimethylpropanamide
CID 62141656
3-(ethylamino)-N,N-dimethylpropanamide
CID 60926487
3-(but-3-ynylamino)-N-propylpropanamide
CID 63656268
3-[[3-(dimethylamino)-3-oxopropyl]amino]-N-propan-2-ylpropanamide
CID 62625373
3-[(4-cyano-2,2-dimethylbutyl)amino]-N,N-dimethylpropanamide
CID 115653050
6-(but-3-ynylamino)-4,4-dimethylhexanoic acid
CID 65287661
3-[[2-(ethylamino)-2-oxoethyl]amino]-N,N-dimethylpropanamide
CID 60961205
3-(hex-1-yn-3-ylamino)-N,N-dimethylpropanamide
CID 106230179
3-[[(E)-4-chlorobut-2-enyl]amino]-N,N-dimethylpropanamide
CID 81431155
but-3-ynyl 3-[3-(dimethylamino)propylamino]propanoate
CID 177012747
N,N-dimethyl-3-(methylsulfanylamino)propanamide
CID 146520704

Frequently Asked Questions

What is the IUPAC name of 3-(but-3-ynylamino)-N,N-dimethylpropanamide?
The IUPAC name of 3-(but-3-ynylamino)-N,N-dimethylpropanamide (CID 63656065) is 3-(but-3-ynylamino)-N,N-dimethylpropanamide.
What is the SMILES notation for 3-(but-3-ynylamino)-N,N-dimethylpropanamide?
The canonical SMILES for 3-(but-3-ynylamino)-N,N-dimethylpropanamide is C#CCCNCCC(=O)N(C)C.
What is the InChIKey of 3-(but-3-ynylamino)-N,N-dimethylpropanamide?
The InChIKey is PLPVFFYMOIMDMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-4-5-7-10-8-6-9(12)11(2)3/h1,10H,5-8H2,2-3H3.
What are the key properties of 3-(but-3-ynylamino)-N,N-dimethylpropanamide?
3-(but-3-ynylamino)-N,N-dimethylpropanamide has a molecular weight of 168.24 g/mol, XLogP of 0.08, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(but-3-ynylamino)-N,N-dimethylpropanamide is sourced from PubChem (CID 63656065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).