N-tert-butylbut-2-ynamide

C8H13NO — CID 106741322

IUPACN-tert-butylbut-2-ynamide
SMILESCC#CC(=O)NC(C)(C)C
InChIInChI=1S/C8H13NO/c1-5-6-7(10)9-8(2,3)4/h1-4H3,(H,9,10)
InChIKeyXNWGQJZIJZAVHL-UHFFFAOYSA-N
MW139.20 g/mol
LogP0.92
Rot. Bonds

About N-tert-butylbut-2-ynamide

N-tert-butylbut-2-ynamide (PubChem CID 106741322) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is N-tert-butylbut-2-ynamide.

Molecular Properties

Compound NameN-tert-butylbut-2-ynamide
PubChem CID106741322
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC NameN-tert-butylbut-2-ynamide
SMILESCC#CC(=O)NC(C)(C)C
InChIInChI=1S/C8H13NO/c1-5-6-7(10)9-8(2,3)4/h1-4H3,(H,9,10)
InChIKeyXNWGQJZIJZAVHL-UHFFFAOYSA-N
XLogP0.92
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 50.92
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-(2-methylpentan-2-yl)but-2-ynamide
CID 130683499
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]but-2-ynamide
CID 107989765
N'-but-2-ynoyl-2-hydroxy-2-methylpropanehydrazide
CID 130676036
N-(3,3-dimethylbutan-2-yl)but-2-ynamide
CID 130700534
N-(3,3-dimethyl-2-oxobutyl)but-2-ynamide
CID 130709523
tert-butyl N-[3-(but-2-ynoylamino)propyl]carbamate
CID 178120004
N-(2-cyano-2-methylpropyl)but-2-ynamide
CID 130621104
3-(but-2-ynoylamino)-4,4-dimethylpentanoic acid
CID 107986943
tert-butylcarbamothioic S-acid
CID 10394051
N-(2,2-difluoro-3-hydroxypropyl)but-2-ynamide
CID 106168461
1-tert-butyl-3-(diaminomethylidene)urea
CID 12622411
N-[2-(carbamoylamino)ethyl]but-2-ynamide
CID 130637362

Frequently Asked Questions

What is the IUPAC name of N-tert-butylbut-2-ynamide?
The IUPAC name of N-tert-butylbut-2-ynamide (CID 106741322) is N-tert-butylbut-2-ynamide.
What is the SMILES notation for N-tert-butylbut-2-ynamide?
The canonical SMILES for N-tert-butylbut-2-ynamide is CC#CC(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butylbut-2-ynamide?
The InChIKey is XNWGQJZIJZAVHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-5-6-7(10)9-8(2,3)4/h1-4H3,(H,9,10).
What are the key properties of N-tert-butylbut-2-ynamide?
N-tert-butylbut-2-ynamide has a molecular weight of 139.20 g/mol, XLogP of 0.92, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butylbut-2-ynamide is sourced from PubChem (CID 106741322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).