3-ethyl-6-(methylamino)bicyclo[3.3.1]nonane-3-carboxamide

C13H24N2O — CID 144523023

IUPAC3-ethyl-6-(methylamino)bicyclo[3.3.1]nonane-3-carboxamide
SMILESCCC1(C(N)=O)CC2CCC(NC)C(C2)C1
InChIInChI=1S/C13H24N2O/c1-3-13(12(14)16)7-9-4-5-11(15-2)10(6-9)8-13/h9-11,15H,3-8H2,1-2H3,(H2,14,16)
InChIKeyOLNZYAADWOSNFX-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.67
Rot. Bonds3

About 3-ethyl-6-(methylamino)bicyclo[3.3.1]nonane-3-carboxamide

3-ethyl-6-(methylamino)bicyclo[3.3.1]nonane-3-carboxamide (PubChem CID 144523023) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 3-ethyl-6-(methylamino)bicyclo[3.3.1]nonane-3-carboxamide.

Molecular Properties

Compound Name3-ethyl-6-(methylamino)bicyclo[3.3.1]nonane-3-carboxamide
PubChem CID144523023
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name3-ethyl-6-(methylamino)bicyclo[3.3.1]nonane-3-carboxamide
SMILESCCC1(C(N)=O)CC2CCC(NC)C(C2)C1
InChIInChI=1S/C13H24N2O/c1-3-13(12(14)16)7-9-4-5-11(15-2)10(6-9)8-13/h9-11,15H,3-8H2,1-2H3,(H2,14,16)
InChIKeyOLNZYAADWOSNFX-UHFFFAOYSA-N
XLogP1.67
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-6-(methylamino)bicyclo[3.3.1]nonane-3-carboxamide?
The IUPAC name of 3-ethyl-6-(methylamino)bicyclo[3.3.1]nonane-3-carboxamide (CID 144523023) is 3-ethyl-6-(methylamino)bicyclo[3.3.1]nonane-3-carboxamide.
What is the SMILES notation for 3-ethyl-6-(methylamino)bicyclo[3.3.1]nonane-3-carboxamide?
The canonical SMILES for 3-ethyl-6-(methylamino)bicyclo[3.3.1]nonane-3-carboxamide is CCC1(C(N)=O)CC2CCC(NC)C(C2)C1.
What is the InChIKey of 3-ethyl-6-(methylamino)bicyclo[3.3.1]nonane-3-carboxamide?
The InChIKey is OLNZYAADWOSNFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-3-13(12(14)16)7-9-4-5-11(15-2)10(6-9)8-13/h9-11,15H,3-8H2,1-2H3,(H2,14,16).
What are the key properties of 3-ethyl-6-(methylamino)bicyclo[3.3.1]nonane-3-carboxamide?
3-ethyl-6-(methylamino)bicyclo[3.3.1]nonane-3-carboxamide has a molecular weight of 224.35 g/mol, XLogP of 1.67, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-6-(methylamino)bicyclo[3.3.1]nonane-3-carboxamide is sourced from PubChem (CID 144523023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).