N-(7-ethynyl-7-azabicyclo[2.2.1]heptan-2-yl)-2,2-dimethylpropanamide

C13H20N2O — CID 163947106

IUPACN-(7-ethynyl-7-azabicyclo[2.2.1]heptan-2-yl)-2,2-dimethylpropanamide
SMILESC#CN1C2CCC1C(NC(=O)C(C)(C)C)C2
InChIInChI=1S/C13H20N2O/c1-5-15-9-6-7-11(15)10(8-9)14-12(16)13(2,3)4/h1,9-11H,6-8H2,2-4H3,(H,14,16)
InChIKeyMWGALPZBXTZJNB-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.34
Rot. Bonds1

About N-(7-ethynyl-7-azabicyclo[2.2.1]heptan-2-yl)-2,2-dimethylpropanamide

N-(7-ethynyl-7-azabicyclo[2.2.1]heptan-2-yl)-2,2-dimethylpropanamide (PubChem CID 163947106) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is N-(7-ethynyl-7-azabicyclo[2.2.1]heptan-2-yl)-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(7-ethynyl-7-azabicyclo[2.2.1]heptan-2-yl)-2,2-dimethylpropanamide
PubChem CID163947106
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC NameN-(7-ethynyl-7-azabicyclo[2.2.1]heptan-2-yl)-2,2-dimethylpropanamide
SMILESC#CN1C2CCC1C(NC(=O)C(C)(C)C)C2
InChIInChI=1S/C13H20N2O/c1-5-15-9-6-7-11(15)10(8-9)14-12(16)13(2,3)4/h1,9-11H,6-8H2,2-4H3,(H,14,16)
InChIKeyMWGALPZBXTZJNB-UHFFFAOYSA-N
XLogP1.34
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(7-ethynyl-7-azabicyclo[2.2.1]heptan-2-yl)-2,2-dimethylpropanamide?
The IUPAC name of N-(7-ethynyl-7-azabicyclo[2.2.1]heptan-2-yl)-2,2-dimethylpropanamide (CID 163947106) is N-(7-ethynyl-7-azabicyclo[2.2.1]heptan-2-yl)-2,2-dimethylpropanamide.
What is the SMILES notation for N-(7-ethynyl-7-azabicyclo[2.2.1]heptan-2-yl)-2,2-dimethylpropanamide?
The canonical SMILES for N-(7-ethynyl-7-azabicyclo[2.2.1]heptan-2-yl)-2,2-dimethylpropanamide is C#CN1C2CCC1C(NC(=O)C(C)(C)C)C2.
What is the InChIKey of N-(7-ethynyl-7-azabicyclo[2.2.1]heptan-2-yl)-2,2-dimethylpropanamide?
The InChIKey is MWGALPZBXTZJNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-5-15-9-6-7-11(15)10(8-9)14-12(16)13(2,3)4/h1,9-11H,6-8H2,2-4H3,(H,14,16).
What are the key properties of N-(7-ethynyl-7-azabicyclo[2.2.1]heptan-2-yl)-2,2-dimethylpropanamide?
N-(7-ethynyl-7-azabicyclo[2.2.1]heptan-2-yl)-2,2-dimethylpropanamide has a molecular weight of 220.32 g/mol, XLogP of 1.34, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-ethynyl-7-azabicyclo[2.2.1]heptan-2-yl)-2,2-dimethylpropanamide is sourced from PubChem (CID 163947106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).