3-(hex-5-ynylamino)-N,N-dimethylpropanamide

C11H20N2O — CID 106211989

IUPAC3-(hex-5-ynylamino)-N,N-dimethylpropanamide
SMILESC#CCCCCNCCC(=O)N(C)C
InChIInChI=1S/C11H20N2O/c1-4-5-6-7-9-12-10-8-11(14)13(2)3/h1,12H,5-10H2,2-3H3
InChIKeyVRTIGIHWIRZYQB-UHFFFAOYSA-N
MW196.29 g/mol
LogP0.86
Rot. Bonds7

About 3-(hex-5-ynylamino)-N,N-dimethylpropanamide

3-(hex-5-ynylamino)-N,N-dimethylpropanamide (PubChem CID 106211989) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 3-(hex-5-ynylamino)-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-(hex-5-ynylamino)-N,N-dimethylpropanamide
PubChem CID106211989
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name3-(hex-5-ynylamino)-N,N-dimethylpropanamide
SMILESC#CCCCCNCCC(=O)N(C)C
InChIInChI=1S/C11H20N2O/c1-4-5-6-7-9-12-10-8-11(14)13(2)3/h1,12H,5-10H2,2-3H3
InChIKeyVRTIGIHWIRZYQB-UHFFFAOYSA-N
XLogP0.86
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 50.86
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'}

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Related Compounds

3-(but-3-ynylamino)-N,N-dimethylpropanamide
CID 63656065
3-(hex-5-ynylamino)propanamide
CID 106211456
3-(2-aminoethylamino)-N,N-dimethylpropanamide
CID 62141656
6-(hex-5-ynylamino)hexanoic acid
CID 106212008
4-(hex-5-ynylamino)butan-1-ol
CID 106211716
3-(ethylamino)-N,N-dimethylpropanamide
CID 60926487
but-3-ynyl 3-[3-(dimethylamino)propylamino]propanoate
CID 177012747
4-(ethylamino)-N,N-dimethylbutanamide
CID 3024993
N,N-dimethyl-4-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]butanamide
CID 113411347
4-(hex-5-ynylamino)butan-2-ol
CID 106211383
N',N'-diethyl-N-hex-5-ynylethane-1,2-diamine
CID 106211426
N',N'-dimethylhept-6-ynehydrazide
CID 163368546

Frequently Asked Questions

What is the IUPAC name of 3-(hex-5-ynylamino)-N,N-dimethylpropanamide?
The IUPAC name of 3-(hex-5-ynylamino)-N,N-dimethylpropanamide (CID 106211989) is 3-(hex-5-ynylamino)-N,N-dimethylpropanamide.
What is the SMILES notation for 3-(hex-5-ynylamino)-N,N-dimethylpropanamide?
The canonical SMILES for 3-(hex-5-ynylamino)-N,N-dimethylpropanamide is C#CCCCCNCCC(=O)N(C)C.
What is the InChIKey of 3-(hex-5-ynylamino)-N,N-dimethylpropanamide?
The InChIKey is VRTIGIHWIRZYQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-4-5-6-7-9-12-10-8-11(14)13(2)3/h1,12H,5-10H2,2-3H3.
What are the key properties of 3-(hex-5-ynylamino)-N,N-dimethylpropanamide?
3-(hex-5-ynylamino)-N,N-dimethylpropanamide has a molecular weight of 196.29 g/mol, XLogP of 0.86, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hex-5-ynylamino)-N,N-dimethylpropanamide is sourced from PubChem (CID 106211989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).