3-(hex-1-yn-3-ylamino)-N,N-dimethylpropanamide

C11H20N2O — CID 106230179

IUPAC3-(hex-1-yn-3-ylamino)-N,N-dimethylpropanamide
SMILESC#CC(CCC)NCCC(=O)N(C)C
InChIInChI=1S/C11H20N2O/c1-5-7-10(6-2)12-9-8-11(14)13(3)4/h2,10,12H,5,7-9H2,1,3-4H3
InChIKeyUNHRKGZCVBGJEG-UHFFFAOYSA-N
MW196.29 g/mol
LogP0.86
Rot. Bonds6

About 3-(hex-1-yn-3-ylamino)-N,N-dimethylpropanamide

3-(hex-1-yn-3-ylamino)-N,N-dimethylpropanamide (PubChem CID 106230179) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 3-(hex-1-yn-3-ylamino)-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-(hex-1-yn-3-ylamino)-N,N-dimethylpropanamide
PubChem CID106230179
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name3-(hex-1-yn-3-ylamino)-N,N-dimethylpropanamide
SMILESC#CC(CCC)NCCC(=O)N(C)C
InChIInChI=1S/C11H20N2O/c1-5-7-10(6-2)12-9-8-11(14)13(3)4/h2,10,12H,5,7-9H2,1,3-4H3
InChIKeyUNHRKGZCVBGJEG-UHFFFAOYSA-N
XLogP0.86
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-[2-(hex-1-yn-3-ylamino)ethoxy]acetate
CID 106231895
N-hex-1-yn-3-yldecan-1-amine
CID 106226428
N-hex-1-yn-3-yloctan-1-amine
CID 106225987
N-(2-tert-butylsulfonylethyl)hex-1-yn-3-amine
CID 106230146
N,N-dimethyl-3-(2-methylpentylamino)propanamide
CID 60926846
N-hex-1-yn-3-yl-4-(methylamino)butanamide
CID 106230477
N'-tert-butyl-N-hex-1-yn-3-ylethane-1,2-diamine
CID 106226213
N,N-dimethyl-3-(3-methylpentan-2-ylamino)propanamide
CID 60925489
3-(1-methoxyhexan-2-ylamino)-N,N-dimethylpropanamide
CID 115715312
(2S)-2-[[3-(dimethylamino)-3-oxopropyl]amino]propanoic acid
CID 83195023
N-(2-methylpropyl)hex-1-yn-3-amine
CID 107234224
3-(but-3-ynylamino)-N,N-dimethylpropanamide
CID 63656065

Frequently Asked Questions

What is the IUPAC name of 3-(hex-1-yn-3-ylamino)-N,N-dimethylpropanamide?
The IUPAC name of 3-(hex-1-yn-3-ylamino)-N,N-dimethylpropanamide (CID 106230179) is 3-(hex-1-yn-3-ylamino)-N,N-dimethylpropanamide.
What is the SMILES notation for 3-(hex-1-yn-3-ylamino)-N,N-dimethylpropanamide?
The canonical SMILES for 3-(hex-1-yn-3-ylamino)-N,N-dimethylpropanamide is C#CC(CCC)NCCC(=O)N(C)C.
What is the InChIKey of 3-(hex-1-yn-3-ylamino)-N,N-dimethylpropanamide?
The InChIKey is UNHRKGZCVBGJEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-5-7-10(6-2)12-9-8-11(14)13(3)4/h2,10,12H,5,7-9H2,1,3-4H3.
What are the key properties of 3-(hex-1-yn-3-ylamino)-N,N-dimethylpropanamide?
3-(hex-1-yn-3-ylamino)-N,N-dimethylpropanamide has a molecular weight of 196.29 g/mol, XLogP of 0.86, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hex-1-yn-3-ylamino)-N,N-dimethylpropanamide is sourced from PubChem (CID 106230179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).