N-(2-methylpentan-2-yl)but-2-ynamide

C10H17NO — CID 130683499

IUPACN-(2-methylpentan-2-yl)but-2-ynamide
SMILESCC#CC(=O)NC(C)(C)CCC
InChIInChI=1S/C10H17NO/c1-5-7-9(12)11-10(3,4)8-6-2/h6,8H2,1-4H3,(H,11,12)
InChIKeyVFYWFYNTEJICIH-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.70
Rot. Bonds3

About N-(2-methylpentan-2-yl)but-2-ynamide

N-(2-methylpentan-2-yl)but-2-ynamide (PubChem CID 130683499) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is N-(2-methylpentan-2-yl)but-2-ynamide.

Molecular Properties

Compound NameN-(2-methylpentan-2-yl)but-2-ynamide
PubChem CID130683499
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC NameN-(2-methylpentan-2-yl)but-2-ynamide
SMILESCC#CC(=O)NC(C)(C)CCC
InChIInChI=1S/C10H17NO/c1-5-7-9(12)11-10(3,4)8-6-2/h6,8H2,1-4H3,(H,11,12)
InChIKeyVFYWFYNTEJICIH-UHFFFAOYSA-N
XLogP1.70
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 ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylpentan-2-yl)but-2-ynamide?
The IUPAC name of N-(2-methylpentan-2-yl)but-2-ynamide (CID 130683499) is N-(2-methylpentan-2-yl)but-2-ynamide.
What is the SMILES notation for N-(2-methylpentan-2-yl)but-2-ynamide?
The canonical SMILES for N-(2-methylpentan-2-yl)but-2-ynamide is CC#CC(=O)NC(C)(C)CCC.
What is the InChIKey of N-(2-methylpentan-2-yl)but-2-ynamide?
The InChIKey is VFYWFYNTEJICIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-5-7-9(12)11-10(3,4)8-6-2/h6,8H2,1-4H3,(H,11,12).
What are the key properties of N-(2-methylpentan-2-yl)but-2-ynamide?
N-(2-methylpentan-2-yl)but-2-ynamide has a molecular weight of 167.25 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpentan-2-yl)but-2-ynamide is sourced from PubChem (CID 130683499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).