N-ethyl-N-methyl-2-[3-(methylamino)-8-azabicyclo[3.2.1]octan-8-yl]acetamide

C13H25N3O — CID 114134708

IUPACN-ethyl-N-methyl-2-[3-(methylamino)-8-azabicyclo[3.2.1]octan-8-yl]acetamide
SMILESCCN(C)C(=O)CN1C2CCC1CC(NC)C2
InChIInChI=1S/C13H25N3O/c1-4-15(3)13(17)9-16-11-5-6-12(16)8-10(7-11)14-2/h10-12,14H,4-9H2,1-3H3
InChIKeyABTOUUVDRITQQB-UHFFFAOYSA-N
MW239.36 g/mol
LogP0.68
Rot. Bonds4

About N-ethyl-N-methyl-2-[3-(methylamino)-8-azabicyclo[3.2.1]octan-8-yl]acetamide

N-ethyl-N-methyl-2-[3-(methylamino)-8-azabicyclo[3.2.1]octan-8-yl]acetamide (PubChem CID 114134708) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is N-ethyl-N-methyl-2-[3-(methylamino)-8-azabicyclo[3.2.1]octan-8-yl]acetamide.

Molecular Properties

Compound NameN-ethyl-N-methyl-2-[3-(methylamino)-8-azabicyclo[3.2.1]octan-8-yl]acetamide
PubChem CID114134708
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC NameN-ethyl-N-methyl-2-[3-(methylamino)-8-azabicyclo[3.2.1]octan-8-yl]acetamide
SMILESCCN(C)C(=O)CN1C2CCC1CC(NC)C2
InChIInChI=1S/C13H25N3O/c1-4-15(3)13(17)9-16-11-5-6-12(16)8-10(7-11)14-2/h10-12,14H,4-9H2,1-3H3
InChIKeyABTOUUVDRITQQB-UHFFFAOYSA-N
XLogP0.68
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-methyl-2-[3-(methylamino)-8-azabicyclo[3.2.1]octan-8-yl]acetamide?
The IUPAC name of N-ethyl-N-methyl-2-[3-(methylamino)-8-azabicyclo[3.2.1]octan-8-yl]acetamide (CID 114134708) is N-ethyl-N-methyl-2-[3-(methylamino)-8-azabicyclo[3.2.1]octan-8-yl]acetamide.
What is the SMILES notation for N-ethyl-N-methyl-2-[3-(methylamino)-8-azabicyclo[3.2.1]octan-8-yl]acetamide?
The canonical SMILES for N-ethyl-N-methyl-2-[3-(methylamino)-8-azabicyclo[3.2.1]octan-8-yl]acetamide is CCN(C)C(=O)CN1C2CCC1CC(NC)C2.
What is the InChIKey of N-ethyl-N-methyl-2-[3-(methylamino)-8-azabicyclo[3.2.1]octan-8-yl]acetamide?
The InChIKey is ABTOUUVDRITQQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-4-15(3)13(17)9-16-11-5-6-12(16)8-10(7-11)14-2/h10-12,14H,4-9H2,1-3H3.
What are the key properties of N-ethyl-N-methyl-2-[3-(methylamino)-8-azabicyclo[3.2.1]octan-8-yl]acetamide?
N-ethyl-N-methyl-2-[3-(methylamino)-8-azabicyclo[3.2.1]octan-8-yl]acetamide has a molecular weight of 239.36 g/mol, XLogP of 0.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-methyl-2-[3-(methylamino)-8-azabicyclo[3.2.1]octan-8-yl]acetamide is sourced from PubChem (CID 114134708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).