N-but-3-yn-2-ylhexanamide

C10H17NO — CID 114389654

IUPACN-but-3-yn-2-ylhexanamide
SMILESC#CC(C)NC(=O)CCCCC
InChIInChI=1S/C10H17NO/c1-4-6-7-8-10(12)11-9(3)5-2/h2,9H,4,6-8H2,1,3H3,(H,11,12)
InChIKeyWZVQEPKIIFPBIO-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.70
Rot. Bonds5

About N-but-3-yn-2-ylhexanamide

N-but-3-yn-2-ylhexanamide (PubChem CID 114389654) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is N-but-3-yn-2-ylhexanamide.

Molecular Properties

Compound NameN-but-3-yn-2-ylhexanamide
PubChem CID114389654
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC NameN-but-3-yn-2-ylhexanamide
SMILESC#CC(C)NC(=O)CCCCC
InChIInChI=1S/C10H17NO/c1-4-6-7-8-10(12)11-9(3)5-2/h2,9H,4,6-8H2,1,3H3,(H,11,12)
InChIKeyWZVQEPKIIFPBIO-UHFFFAOYSA-N
XLogP1.70
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

N,N'-bis(but-3-yn-2-yl)decanediamide
CID 142746556
N-but-3-yn-2-yl-4-hydroxybutanamide
CID 114420372
N-but-3-yn-2-yl-4-(methylamino)butanamide
CID 114417259
N-but-3-yn-2-yl-4-hydroxypentanamide
CID 114420373
N-pentan-2-ylundecanamide
CID 173258559
N-butan-2-ylhexacosanamide
CID 163047877
N-octadecan-2-ylhexadecanamide
CID 87600664
2-(hexanoylamino)propanoic acid
CID 2828500
N-butan-2-ylnonanamide
CID 4188803
N-heptan-2-yldodecanamide
CID 3484810
N-pentan-3-yldocosanamide
CID 123339332
N-(1-hydroxypropan-2-yl)heptanamide
CID 43418581

Frequently Asked Questions

What is the IUPAC name of N-but-3-yn-2-ylhexanamide?
The IUPAC name of N-but-3-yn-2-ylhexanamide (CID 114389654) is N-but-3-yn-2-ylhexanamide.
What is the SMILES notation for N-but-3-yn-2-ylhexanamide?
The canonical SMILES for N-but-3-yn-2-ylhexanamide is C#CC(C)NC(=O)CCCCC.
What is the InChIKey of N-but-3-yn-2-ylhexanamide?
The InChIKey is WZVQEPKIIFPBIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-4-6-7-8-10(12)11-9(3)5-2/h2,9H,4,6-8H2,1,3H3,(H,11,12).
What are the key properties of N-but-3-yn-2-ylhexanamide?
N-but-3-yn-2-ylhexanamide has a molecular weight of 167.25 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-yn-2-ylhexanamide is sourced from PubChem (CID 114389654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).