N-but-3-ynyl-3,3-dimethylbutanamide

C10H17NO — CID 56765708

IUPACN-but-3-ynyl-3,3-dimethylbutanamide
SMILESC#CCCNC(=O)CC(C)(C)C
InChIInChI=1S/C10H17NO/c1-5-6-7-11-9(12)8-10(2,3)4/h1H,6-8H2,2-4H3,(H,11,12)
InChIKeyUEHQVAPGHRHQFX-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.56
Rot. Bonds3

About N-but-3-ynyl-3,3-dimethylbutanamide

N-but-3-ynyl-3,3-dimethylbutanamide (PubChem CID 56765708) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is N-but-3-ynyl-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-but-3-ynyl-3,3-dimethylbutanamide
PubChem CID56765708
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC NameN-but-3-ynyl-3,3-dimethylbutanamide
SMILESC#CCCNC(=O)CC(C)(C)C
InChIInChI=1S/C10H17NO/c1-5-6-7-11-9(12)8-10(2,3)4/h1H,6-8H2,2-4H3,(H,11,12)
InChIKeyUEHQVAPGHRHQFX-UHFFFAOYSA-N
XLogP1.56
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.56
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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Frequently Asked Questions

What is the IUPAC name of N-but-3-ynyl-3,3-dimethylbutanamide?
The IUPAC name of N-but-3-ynyl-3,3-dimethylbutanamide (CID 56765708) is N-but-3-ynyl-3,3-dimethylbutanamide.
What is the SMILES notation for N-but-3-ynyl-3,3-dimethylbutanamide?
The canonical SMILES for N-but-3-ynyl-3,3-dimethylbutanamide is C#CCCNC(=O)CC(C)(C)C.
What is the InChIKey of N-but-3-ynyl-3,3-dimethylbutanamide?
The InChIKey is UEHQVAPGHRHQFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-5-6-7-11-9(12)8-10(2,3)4/h1H,6-8H2,2-4H3,(H,11,12).
What are the key properties of N-but-3-ynyl-3,3-dimethylbutanamide?
N-but-3-ynyl-3,3-dimethylbutanamide has a molecular weight of 167.25 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-ynyl-3,3-dimethylbutanamide is sourced from PubChem (CID 56765708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).