N-hex-5-ynyl-2-(propan-2-ylamino)acetamide

C11H20N2O — CID 106213054

IUPACN-hex-5-ynyl-2-(propan-2-ylamino)acetamide
SMILESC#CCCCCNC(=O)CNC(C)C
InChIInChI=1S/C11H20N2O/c1-4-5-6-7-8-12-11(14)9-13-10(2)3/h1,10,13H,5-9H2,2-3H3,(H,12,14)
InChIKeyZPBVRFBHJXSJGR-UHFFFAOYSA-N
MW196.29 g/mol
LogP0.90
Rot. Bonds7

About N-hex-5-ynyl-2-(propan-2-ylamino)acetamide

N-hex-5-ynyl-2-(propan-2-ylamino)acetamide (PubChem CID 106213054) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is N-hex-5-ynyl-2-(propan-2-ylamino)acetamide.

Molecular Properties

Compound NameN-hex-5-ynyl-2-(propan-2-ylamino)acetamide
PubChem CID106213054
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC NameN-hex-5-ynyl-2-(propan-2-ylamino)acetamide
SMILESC#CCCCCNC(=O)CNC(C)C
InChIInChI=1S/C11H20N2O/c1-4-5-6-7-8-12-11(14)9-13-10(2)3/h1,10,13H,5-9H2,2-3H3,(H,12,14)
InChIKeyZPBVRFBHJXSJGR-UHFFFAOYSA-N
XLogP0.90
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 50.90
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

2-formamido-N-hex-5-ynylacetamide
CID 143163619
2-(hex-5-ynylamino)-N-(2-methylpropyl)acetamide
CID 106211958
2-bromo-N-hex-5-ynylpropanamide
CID 106211130
N-[4-(aminooxyamino)butyl]-2-(propan-2-ylamino)acetamide
CID 171804657
N-hex-5-ynyl-2-methylsulfonylacetamide
CID 103758108
N-hex-5-ynyl-3,3-dimethylbutanamide
CID 103758094
N-(8-oxodecyl)-2-(propan-2-ylamino)acetamide
CID 156798496
3-amino-N-hex-5-ynylpentanamide
CID 106213039
4-(hex-5-ynylamino)-2-methyl-4-oxo-2-propan-2-ylbutanoic acid
CID 106208691
2-cyano-N-hex-5-ynylacetamide
CID 104920077
N-hex-5-ynyl-3-methylsulfanylpropanamide
CID 103757804
N-(8-methyl-7-oxonon-8-enyl)-2-(propan-2-ylamino)acetamide
CID 167215144

Frequently Asked Questions

What is the IUPAC name of N-hex-5-ynyl-2-(propan-2-ylamino)acetamide?
The IUPAC name of N-hex-5-ynyl-2-(propan-2-ylamino)acetamide (CID 106213054) is N-hex-5-ynyl-2-(propan-2-ylamino)acetamide.
What is the SMILES notation for N-hex-5-ynyl-2-(propan-2-ylamino)acetamide?
The canonical SMILES for N-hex-5-ynyl-2-(propan-2-ylamino)acetamide is C#CCCCCNC(=O)CNC(C)C.
What is the InChIKey of N-hex-5-ynyl-2-(propan-2-ylamino)acetamide?
The InChIKey is ZPBVRFBHJXSJGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-4-5-6-7-8-12-11(14)9-13-10(2)3/h1,10,13H,5-9H2,2-3H3,(H,12,14).
What are the key properties of N-hex-5-ynyl-2-(propan-2-ylamino)acetamide?
N-hex-5-ynyl-2-(propan-2-ylamino)acetamide has a molecular weight of 196.29 g/mol, XLogP of 0.90, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hex-5-ynyl-2-(propan-2-ylamino)acetamide is sourced from PubChem (CID 106213054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).