N-(3,3-dimethylbutan-2-yl)but-2-ynamide

C10H17NO — CID 130700534

IUPACN-(3,3-dimethylbutan-2-yl)but-2-ynamide
SMILESCC#CC(=O)NC(C)C(C)(C)C
InChIInChI=1S/C10H17NO/c1-6-7-9(12)11-8(2)10(3,4)5/h8H,1-5H3,(H,11,12)
InChIKeyQDKVDEBZBLHLDT-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.56
Rot. Bonds1

About N-(3,3-dimethylbutan-2-yl)but-2-ynamide

N-(3,3-dimethylbutan-2-yl)but-2-ynamide (PubChem CID 130700534) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is N-(3,3-dimethylbutan-2-yl)but-2-ynamide.

Molecular Properties

Compound NameN-(3,3-dimethylbutan-2-yl)but-2-ynamide
PubChem CID130700534
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC NameN-(3,3-dimethylbutan-2-yl)but-2-ynamide
SMILESCC#CC(=O)NC(C)C(C)(C)C
InChIInChI=1S/C10H17NO/c1-6-7-9(12)11-8(2)10(3,4)5/h8H,1-5H3,(H,11,12)
InChIKeyQDKVDEBZBLHLDT-UHFFFAOYSA-N
XLogP1.56
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
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': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-(but-3-yn-1-yl)-3,3-dimethylbutanamide
CID 56765708
N-{4-[bis(propan-2-yl)amino]but-2-yn-1-yl}-2,2-dimethylpropanamide
CID 71792469
Acetamide, N-(1,2,2-trimethylpropyl)-
CID 9793813
Acetamide, N-[(1R)-1,2,2-trimethylpropyl]-
CID 11116174
N-[(2S)-3,3-dimethylbutan-2-yl]acetamide
CID 11205812
N-(3,3-dimethylbutan-2-yl)-3,3,3-trifluoropropanamide
CID 89286084
N-[(2S)-3,3-dimethylbutan-2-yl]-3,3,3-trifluoropropanamide
CID 89418202
N-(3,3-dimethylbutan-2-yl)-2-fluoro-2-methylpropanamide
CID 130165371
N-(3,3-dimethylbutan-2-yl)-2,2-difluoropropanamide
CID 130885149
N-(3,3-dimethylbutan-2-yl)-2,2,2-trifluoroacetamide;ethane
CID 165393873
N-[(2R)-3,3-dimethylbutan-2-yl]-3,3,3-trifluoropropanamide
CID 166155900
N-(3,3-dimethylbutan-2-yl)-2,2,2-trifluoroacetamide;propane
CID 171534278

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylbutan-2-yl)but-2-ynamide?
The IUPAC name of N-(3,3-dimethylbutan-2-yl)but-2-ynamide (CID 130700534) is N-(3,3-dimethylbutan-2-yl)but-2-ynamide.
What is the SMILES notation for N-(3,3-dimethylbutan-2-yl)but-2-ynamide?
The canonical SMILES for N-(3,3-dimethylbutan-2-yl)but-2-ynamide is CC#CC(=O)NC(C)C(C)(C)C.
What is the InChIKey of N-(3,3-dimethylbutan-2-yl)but-2-ynamide?
The InChIKey is QDKVDEBZBLHLDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-6-7-9(12)11-8(2)10(3,4)5/h8H,1-5H3,(H,11,12).
What are the key properties of N-(3,3-dimethylbutan-2-yl)but-2-ynamide?
N-(3,3-dimethylbutan-2-yl)but-2-ynamide has a molecular weight of 167.25 g/mol, XLogP of 1.56, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylbutan-2-yl)but-2-ynamide is sourced from PubChem (CID 130700534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).