[1-(4-methyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)cyclopropyl]methanamine

C10H17NO3 — CID 116987041

IUPAC[1-(4-methyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)cyclopropyl]methanamine
SMILESCC12COC(C3(CN)CC3)(OC1)OC2
InChIInChI=1S/C10H17NO3/c1-8-5-12-10(13-6-8,14-7-8)9(4-11)2-3-9/h2-7,11H2,1H3
InChIKeyMXVSYTRRCZWBEM-UHFFFAOYSA-N
MW199.25 g/mol
LogP0.46
Rot. Bonds2

About [1-(4-methyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)cyclopropyl]methanamine

[1-(4-methyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)cyclopropyl]methanamine (PubChem CID 116987041) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is [1-(4-methyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)cyclopropyl]methanamine.

Molecular Properties

Compound Name[1-(4-methyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)cyclopropyl]methanamine
PubChem CID116987041
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name[1-(4-methyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)cyclopropyl]methanamine
SMILESCC12COC(C3(CN)CC3)(OC1)OC2
InChIInChI=1S/C10H17NO3/c1-8-5-12-10(13-6-8,14-7-8)9(4-11)2-3-9/h2-7,11H2,1H3
InChIKeyMXVSYTRRCZWBEM-UHFFFAOYSA-N
XLogP0.46
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(4-methyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)cyclopropyl]methanamine?
The IUPAC name of [1-(4-methyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)cyclopropyl]methanamine (CID 116987041) is [1-(4-methyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)cyclopropyl]methanamine.
What is the SMILES notation for [1-(4-methyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)cyclopropyl]methanamine?
The canonical SMILES for [1-(4-methyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)cyclopropyl]methanamine is CC12COC(C3(CN)CC3)(OC1)OC2.
What is the InChIKey of [1-(4-methyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)cyclopropyl]methanamine?
The InChIKey is MXVSYTRRCZWBEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-8-5-12-10(13-6-8,14-7-8)9(4-11)2-3-9/h2-7,11H2,1H3.
What are the key properties of [1-(4-methyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)cyclopropyl]methanamine?
[1-(4-methyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)cyclopropyl]methanamine has a molecular weight of 199.25 g/mol, XLogP of 0.46, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-methyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)cyclopropyl]methanamine is sourced from PubChem (CID 116987041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).