N-methyl-2-(2,6,7-trioxabicyclo[2.2.2]octan-1-yl)ethanamine

C8H15NO3 — CID 116986812

IUPACN-methyl-2-(2,6,7-trioxabicyclo[2.2.2]octan-1-yl)ethanamine
SMILESCNCCC12OCC(CO1)CO2
InChIInChI=1S/C8H15NO3/c1-9-3-2-8-10-4-7(5-11-8)6-12-8/h7,9H,2-6H2,1H3
InChIKeyKPZRUSMILPRJSP-UHFFFAOYSA-N
MW173.21 g/mol
LogP-0.06
Rot. Bonds3

About N-methyl-2-(2,6,7-trioxabicyclo[2.2.2]octan-1-yl)ethanamine

N-methyl-2-(2,6,7-trioxabicyclo[2.2.2]octan-1-yl)ethanamine (PubChem CID 116986812) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is N-methyl-2-(2,6,7-trioxabicyclo[2.2.2]octan-1-yl)ethanamine.

Molecular Properties

Compound NameN-methyl-2-(2,6,7-trioxabicyclo[2.2.2]octan-1-yl)ethanamine
PubChem CID116986812
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC NameN-methyl-2-(2,6,7-trioxabicyclo[2.2.2]octan-1-yl)ethanamine
SMILESCNCCC12OCC(CO1)CO2
InChIInChI=1S/C8H15NO3/c1-9-3-2-8-10-4-7(5-11-8)6-12-8/h7,9H,2-6H2,1H3
InChIKeyKPZRUSMILPRJSP-UHFFFAOYSA-N
XLogP-0.06
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-methyl-2-(2,6,7-trioxabicyclo[2.2.2]octan-1-yl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2,2-Dimethyl-1,3-dioxan-5-yl)methyl](methyl)amine
CID 25223587
1-(2,2-dimethyl-1,3-dioxan-5-yl)-N-methylmethanamine;methanamine
CID 158977401
N-[(2,2-dimethyl-1,3-dioxan-5-yl)methyl]propan-1-amine;ethane;methane
CID 170618849
N-methyl-1-(2,6,7-trioxabicyclo[2.2.2]octan-1-yl)methanamine
CID 116986808
2-(2,6,7-Trioxabicyclo[2.2.2]octan-1-yl)ethanamine
CID 116986811
2-(2,6,7-Trioxabicyclo[2.2.2]octan-1-yl)propan-1-amine
CID 116986813
1-(2,6,7-Trioxabicyclo[2.2.2]octan-1-yl)propan-2-amine
CID 116986814
2-Methyl-2-(2,6,7-trioxabicyclo[2.2.2]octan-1-yl)propan-1-amine
CID 116986815
N-methyl-3-(2,6,7-trioxabicyclo[2.2.2]octan-1-yl)propan-1-amine
CID 116986818
N-(2,6,7-trioxabicyclo[2.2.2]octan-1-ylmethyl)ethanamine
CID 116986825
3-(2,6,7-Trioxabicyclo[2.2.2]octan-1-yl)azetidine
CID 116986828
N,3-dimethyl-2-(2,6,7-trioxabicyclo[2.2.2]octan-1-yl)butan-1-amine
CID 116986928

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(2,6,7-trioxabicyclo[2.2.2]octan-1-yl)ethanamine?
The IUPAC name of N-methyl-2-(2,6,7-trioxabicyclo[2.2.2]octan-1-yl)ethanamine (CID 116986812) is N-methyl-2-(2,6,7-trioxabicyclo[2.2.2]octan-1-yl)ethanamine.
What is the SMILES notation for N-methyl-2-(2,6,7-trioxabicyclo[2.2.2]octan-1-yl)ethanamine?
The canonical SMILES for N-methyl-2-(2,6,7-trioxabicyclo[2.2.2]octan-1-yl)ethanamine is CNCCC12OCC(CO1)CO2.
What is the InChIKey of N-methyl-2-(2,6,7-trioxabicyclo[2.2.2]octan-1-yl)ethanamine?
The InChIKey is KPZRUSMILPRJSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3/c1-9-3-2-8-10-4-7(5-11-8)6-12-8/h7,9H,2-6H2,1H3.
What are the key properties of N-methyl-2-(2,6,7-trioxabicyclo[2.2.2]octan-1-yl)ethanamine?
N-methyl-2-(2,6,7-trioxabicyclo[2.2.2]octan-1-yl)ethanamine has a molecular weight of 173.21 g/mol, XLogP of -0.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(2,6,7-trioxabicyclo[2.2.2]octan-1-yl)ethanamine is sourced from PubChem (CID 116986812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).