2-(1-azabicyclo[2.2.2]octan-3-ylidene)-N-[[1-(2-methylpropyl)cyclopropyl]methyl]acetamide

C17H28N2O — CID 91944043

IUPAC2-(1-azabicyclo[2.2.2]octan-3-ylidene)-N-[[1-(2-methylpropyl)cyclopropyl]methyl]acetamide
SMILESCC(C)CC1(CNC(=O)C=C2CN3CCC2CC3)CC1
InChIInChI=1S/C17H28N2O/c1-13(2)10-17(5-6-17)12-18-16(20)9-15-11-19-7-3-14(15)4-8-19/h9,13-14H,3-8,10-12H2,1-2H3,(H,18,20)
InChIKeyLOBHZODLEATFOP-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.58
Rot. Bonds5

About 2-(1-azabicyclo[2.2.2]octan-3-ylidene)-N-[[1-(2-methylpropyl)cyclopropyl]methyl]acetamide

2-(1-azabicyclo[2.2.2]octan-3-ylidene)-N-[[1-(2-methylpropyl)cyclopropyl]methyl]acetamide (PubChem CID 91944043) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 2-(1-azabicyclo[2.2.2]octan-3-ylidene)-N-[[1-(2-methylpropyl)cyclopropyl]methyl]acetamide.

Molecular Properties

Compound Name2-(1-azabicyclo[2.2.2]octan-3-ylidene)-N-[[1-(2-methylpropyl)cyclopropyl]methyl]acetamide
PubChem CID91944043
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name2-(1-azabicyclo[2.2.2]octan-3-ylidene)-N-[[1-(2-methylpropyl)cyclopropyl]methyl]acetamide
SMILESCC(C)CC1(CNC(=O)C=C2CN3CCC2CC3)CC1
InChIInChI=1S/C17H28N2O/c1-13(2)10-17(5-6-17)12-18-16(20)9-15-11-19-7-3-14(15)4-8-19/h9,13-14H,3-8,10-12H2,1-2H3,(H,18,20)
InChIKeyLOBHZODLEATFOP-UHFFFAOYSA-N
XLogP2.58
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1-azabicyclo[2.2.2]octan-3-ylidene)-N-[[1-(2-methylpropyl)cyclopropyl]methyl]acetamide?
The IUPAC name of 2-(1-azabicyclo[2.2.2]octan-3-ylidene)-N-[[1-(2-methylpropyl)cyclopropyl]methyl]acetamide (CID 91944043) is 2-(1-azabicyclo[2.2.2]octan-3-ylidene)-N-[[1-(2-methylpropyl)cyclopropyl]methyl]acetamide.
What is the SMILES notation for 2-(1-azabicyclo[2.2.2]octan-3-ylidene)-N-[[1-(2-methylpropyl)cyclopropyl]methyl]acetamide?
The canonical SMILES for 2-(1-azabicyclo[2.2.2]octan-3-ylidene)-N-[[1-(2-methylpropyl)cyclopropyl]methyl]acetamide is CC(C)CC1(CNC(=O)C=C2CN3CCC2CC3)CC1.
What is the InChIKey of 2-(1-azabicyclo[2.2.2]octan-3-ylidene)-N-[[1-(2-methylpropyl)cyclopropyl]methyl]acetamide?
The InChIKey is LOBHZODLEATFOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-13(2)10-17(5-6-17)12-18-16(20)9-15-11-19-7-3-14(15)4-8-19/h9,13-14H,3-8,10-12H2,1-2H3,(H,18,20).
What are the key properties of 2-(1-azabicyclo[2.2.2]octan-3-ylidene)-N-[[1-(2-methylpropyl)cyclopropyl]methyl]acetamide?
2-(1-azabicyclo[2.2.2]octan-3-ylidene)-N-[[1-(2-methylpropyl)cyclopropyl]methyl]acetamide has a molecular weight of 276.42 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-azabicyclo[2.2.2]octan-3-ylidene)-N-[[1-(2-methylpropyl)cyclopropyl]methyl]acetamide is sourced from PubChem (CID 91944043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).