3-(hex-5-ynylamino)propanamide

C9H16N2O — CID 106211456

IUPAC3-(hex-5-ynylamino)propanamide
SMILESC#CCCCCNCCC(N)=O
InChIInChI=1S/C9H16N2O/c1-2-3-4-5-7-11-8-6-9(10)12/h1,11H,3-8H2,(H2,10,12)
InChIKeyGGEJZHWORVGMES-UHFFFAOYSA-N
MW168.24 g/mol
LogP0.25
Rot. Bonds7

About 3-(hex-5-ynylamino)propanamide

3-(hex-5-ynylamino)propanamide (PubChem CID 106211456) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 3-(hex-5-ynylamino)propanamide.

Molecular Properties

Compound Name3-(hex-5-ynylamino)propanamide
PubChem CID106211456
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name3-(hex-5-ynylamino)propanamide
SMILESC#CCCCCNCCC(N)=O
InChIInChI=1S/C9H16N2O/c1-2-3-4-5-7-11-8-6-9(10)12/h1,11H,3-8H2,(H2,10,12)
InChIKeyGGEJZHWORVGMES-UHFFFAOYSA-N
XLogP0.25
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.25
H-Bond Donors ≤ 52
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

tetradec-13-ynamide
CID 19767571
6-(hex-5-ynylamino)hexanoic acid
CID 106212008
3-(hex-5-ynylamino)-N,N-dimethylpropanamide
CID 106211989
3-(prop-2-ynylamino)propanamide
CID 43090029
3-(3-cyanopropylamino)propanamide
CID 43553561
3-(5-hydroxypentylamino)propanamide
CID 62227149
4-(hex-5-ynylamino)butan-1-ol
CID 106211716
3-[3-(3-aminopropylamino)propylamino]propanamide
CID 87496464
4-(hex-5-ynylamino)butan-2-ol
CID 106211383
3-(hept-6-enylamino)propanamide
CID 107006585
3-(hex-5-ynylamino)propanenitrile
CID 106211843
2-(2-hydroxyethylamino)ethanol;3-(octadecylamino)propanamide
CID 175210983

Frequently Asked Questions

What is the IUPAC name of 3-(hex-5-ynylamino)propanamide?
The IUPAC name of 3-(hex-5-ynylamino)propanamide (CID 106211456) is 3-(hex-5-ynylamino)propanamide.
What is the SMILES notation for 3-(hex-5-ynylamino)propanamide?
The canonical SMILES for 3-(hex-5-ynylamino)propanamide is C#CCCCCNCCC(N)=O.
What is the InChIKey of 3-(hex-5-ynylamino)propanamide?
The InChIKey is GGEJZHWORVGMES-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-2-3-4-5-7-11-8-6-9(10)12/h1,11H,3-8H2,(H2,10,12).
What are the key properties of 3-(hex-5-ynylamino)propanamide?
3-(hex-5-ynylamino)propanamide has a molecular weight of 168.24 g/mol, XLogP of 0.25, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hex-5-ynylamino)propanamide is sourced from PubChem (CID 106211456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).