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

C10H17NO3 — CID 116986909

IUPACN-methyl-1-[1-(2,6,7-trioxabicyclo[2.2.2]octan-1-yl)cyclopropyl]methanamine
SMILESCNCC1(C23OCC(CO2)CO3)CC1
InChIInChI=1S/C10H17NO3/c1-11-7-9(2-3-9)10-12-4-8(5-13-10)6-14-10/h8,11H,2-7H2,1H3
InChIKeyWORYZZGOPPEYLD-UHFFFAOYSA-N
MW199.25 g/mol
LogP0.33
Rot. Bonds3

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

N-methyl-1-[1-(2,6,7-trioxabicyclo[2.2.2]octan-1-yl)cyclopropyl]methanamine (PubChem CID 116986909) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is N-methyl-1-[1-(2,6,7-trioxabicyclo[2.2.2]octan-1-yl)cyclopropyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-(2,6,7-trioxabicyclo[2.2.2]octan-1-yl)cyclopropyl]methanamine
PubChem CID116986909
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC NameN-methyl-1-[1-(2,6,7-trioxabicyclo[2.2.2]octan-1-yl)cyclopropyl]methanamine
SMILESCNCC1(C23OCC(CO2)CO3)CC1
InChIInChI=1S/C10H17NO3/c1-11-7-9(2-3-9)10-12-4-8(5-13-10)6-14-10/h8,11H,2-7H2,1H3
InChIKeyWORYZZGOPPEYLD-UHFFFAOYSA-N
XLogP0.33
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-(2,6,7-trioxabicyclo[2.2.2]octan-1-yl)cyclopropyl]methanamine?
The IUPAC name of N-methyl-1-[1-(2,6,7-trioxabicyclo[2.2.2]octan-1-yl)cyclopropyl]methanamine (CID 116986909) is N-methyl-1-[1-(2,6,7-trioxabicyclo[2.2.2]octan-1-yl)cyclopropyl]methanamine.
What is the SMILES notation for N-methyl-1-[1-(2,6,7-trioxabicyclo[2.2.2]octan-1-yl)cyclopropyl]methanamine?
The canonical SMILES for N-methyl-1-[1-(2,6,7-trioxabicyclo[2.2.2]octan-1-yl)cyclopropyl]methanamine is CNCC1(C23OCC(CO2)CO3)CC1.
What is the InChIKey of N-methyl-1-[1-(2,6,7-trioxabicyclo[2.2.2]octan-1-yl)cyclopropyl]methanamine?
The InChIKey is WORYZZGOPPEYLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-11-7-9(2-3-9)10-12-4-8(5-13-10)6-14-10/h8,11H,2-7H2,1H3.
What are the key properties of N-methyl-1-[1-(2,6,7-trioxabicyclo[2.2.2]octan-1-yl)cyclopropyl]methanamine?
N-methyl-1-[1-(2,6,7-trioxabicyclo[2.2.2]octan-1-yl)cyclopropyl]methanamine has a molecular weight of 199.25 g/mol, XLogP of 0.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-(2,6,7-trioxabicyclo[2.2.2]octan-1-yl)cyclopropyl]methanamine is sourced from PubChem (CID 116986909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).