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

C11H20N2O — CID 170235636

IUPACN,N-dimethyl-2-(3-methyl-3-azabicyclo[3.1.1]heptan-6-yl)acetamide
SMILESCN1CC2CC(C1)C2CC(=O)N(C)C
InChIInChI=1S/C11H20N2O/c1-12(2)11(14)5-10-8-4-9(10)7-13(3)6-8/h8-10H,4-7H2,1-3H3
InChIKeyHEUUXRXPJCMLJD-UHFFFAOYSA-N
MW196.29 g/mol
LogP0.66
Rot. Bonds2

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

N,N-dimethyl-2-(3-methyl-3-azabicyclo[3.1.1]heptan-6-yl)acetamide (PubChem CID 170235636) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is N,N-dimethyl-2-(3-methyl-3-azabicyclo[3.1.1]heptan-6-yl)acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-(3-methyl-3-azabicyclo[3.1.1]heptan-6-yl)acetamide
PubChem CID170235636
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC NameN,N-dimethyl-2-(3-methyl-3-azabicyclo[3.1.1]heptan-6-yl)acetamide
SMILESCN1CC2CC(C1)C2CC(=O)N(C)C
InChIInChI=1S/C11H20N2O/c1-12(2)11(14)5-10-8-4-9(10)7-13(3)6-8/h8-10H,4-7H2,1-3H3
InChIKeyHEUUXRXPJCMLJD-UHFFFAOYSA-N
XLogP0.66
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(3-methyl-3-azabicyclo[3.1.1]heptan-6-yl)acetamide?
The IUPAC name of N,N-dimethyl-2-(3-methyl-3-azabicyclo[3.1.1]heptan-6-yl)acetamide (CID 170235636) is N,N-dimethyl-2-(3-methyl-3-azabicyclo[3.1.1]heptan-6-yl)acetamide.
What is the SMILES notation for N,N-dimethyl-2-(3-methyl-3-azabicyclo[3.1.1]heptan-6-yl)acetamide?
The canonical SMILES for N,N-dimethyl-2-(3-methyl-3-azabicyclo[3.1.1]heptan-6-yl)acetamide is CN1CC2CC(C1)C2CC(=O)N(C)C.
What is the InChIKey of N,N-dimethyl-2-(3-methyl-3-azabicyclo[3.1.1]heptan-6-yl)acetamide?
The InChIKey is HEUUXRXPJCMLJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-12(2)11(14)5-10-8-4-9(10)7-13(3)6-8/h8-10H,4-7H2,1-3H3.
What are the key properties of N,N-dimethyl-2-(3-methyl-3-azabicyclo[3.1.1]heptan-6-yl)acetamide?
N,N-dimethyl-2-(3-methyl-3-azabicyclo[3.1.1]heptan-6-yl)acetamide has a molecular weight of 196.29 g/mol, XLogP of 0.66, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(3-methyl-3-azabicyclo[3.1.1]heptan-6-yl)acetamide is sourced from PubChem (CID 170235636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).