N-ethyl-2-(3-methyl-3-azabicyclo[3.1.1]heptan-6-yl)acetamide

C11H20N2O — CID 129276970

IUPACN-ethyl-2-(3-methyl-3-azabicyclo[3.1.1]heptan-6-yl)acetamide
SMILESCCNC(=O)CC1C2CC1CN(C)C2
InChIInChI=1S/C11H20N2O/c1-3-12-11(14)5-10-8-4-9(10)7-13(2)6-8/h8-10H,3-7H2,1-2H3,(H,12,14)
InChIKeyGZHCPOLCODZAEE-UHFFFAOYSA-N
MW196.29 g/mol
LogP0.71
Rot. Bonds3

About N-ethyl-2-(3-methyl-3-azabicyclo[3.1.1]heptan-6-yl)acetamide

N-ethyl-2-(3-methyl-3-azabicyclo[3.1.1]heptan-6-yl)acetamide (PubChem CID 129276970) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is N-ethyl-2-(3-methyl-3-azabicyclo[3.1.1]heptan-6-yl)acetamide.

Molecular Properties

Compound NameN-ethyl-2-(3-methyl-3-azabicyclo[3.1.1]heptan-6-yl)acetamide
PubChem CID129276970
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC NameN-ethyl-2-(3-methyl-3-azabicyclo[3.1.1]heptan-6-yl)acetamide
SMILESCCNC(=O)CC1C2CC1CN(C)C2
InChIInChI=1S/C11H20N2O/c1-3-12-11(14)5-10-8-4-9(10)7-13(2)6-8/h8-10H,3-7H2,1-2H3,(H,12,14)
InChIKeyGZHCPOLCODZAEE-UHFFFAOYSA-N
XLogP0.71
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(3-methyl-3-azabicyclo[3.1.1]heptan-6-yl)acetamide?
The IUPAC name of N-ethyl-2-(3-methyl-3-azabicyclo[3.1.1]heptan-6-yl)acetamide (CID 129276970) is N-ethyl-2-(3-methyl-3-azabicyclo[3.1.1]heptan-6-yl)acetamide.
What is the SMILES notation for N-ethyl-2-(3-methyl-3-azabicyclo[3.1.1]heptan-6-yl)acetamide?
The canonical SMILES for N-ethyl-2-(3-methyl-3-azabicyclo[3.1.1]heptan-6-yl)acetamide is CCNC(=O)CC1C2CC1CN(C)C2.
What is the InChIKey of N-ethyl-2-(3-methyl-3-azabicyclo[3.1.1]heptan-6-yl)acetamide?
The InChIKey is GZHCPOLCODZAEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-3-12-11(14)5-10-8-4-9(10)7-13(2)6-8/h8-10H,3-7H2,1-2H3,(H,12,14).
What are the key properties of N-ethyl-2-(3-methyl-3-azabicyclo[3.1.1]heptan-6-yl)acetamide?
N-ethyl-2-(3-methyl-3-azabicyclo[3.1.1]heptan-6-yl)acetamide has a molecular weight of 196.29 g/mol, XLogP of 0.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(3-methyl-3-azabicyclo[3.1.1]heptan-6-yl)acetamide is sourced from PubChem (CID 129276970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).