ethane;5-[[1-(methoxymethyl)cyclopropyl]methyl]-2-oxa-5-azabicyclo[2.2.1]heptane

C13H25NO2 — CID 169132060

IUPACethane;5-[[1-(methoxymethyl)cyclopropyl]methyl]-2-oxa-5-azabicyclo[2.2.1]heptane
SMILESCC.COCC1(CN2CC3CC2CO3)CC1
InChIInChI=1S/C11H19NO2.C2H6/c1-13-8-11(2-3-11)7-12-5-10-4-9(12)6-14-10;1-2/h9-10H,2-8H2,1H3;1-2H3
InChIKeyMRWVGTFECYWCCE-UHFFFAOYSA-N
MW227.35 g/mol
LogP1.91
Rot. Bonds4

About ethane;5-[[1-(methoxymethyl)cyclopropyl]methyl]-2-oxa-5-azabicyclo[2.2.1]heptane

ethane;5-[[1-(methoxymethyl)cyclopropyl]methyl]-2-oxa-5-azabicyclo[2.2.1]heptane (PubChem CID 169132060) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is ethane;5-[[1-(methoxymethyl)cyclopropyl]methyl]-2-oxa-5-azabicyclo[2.2.1]heptane.

Molecular Properties

Compound Nameethane;5-[[1-(methoxymethyl)cyclopropyl]methyl]-2-oxa-5-azabicyclo[2.2.1]heptane
PubChem CID169132060
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Nameethane;5-[[1-(methoxymethyl)cyclopropyl]methyl]-2-oxa-5-azabicyclo[2.2.1]heptane
SMILESCC.COCC1(CN2CC3CC2CO3)CC1
InChIInChI=1S/C11H19NO2.C2H6/c1-13-8-11(2-3-11)7-12-5-10-4-9(12)6-14-10;1-2/h9-10H,2-8H2,1H3;1-2H3
InChIKeyMRWVGTFECYWCCE-UHFFFAOYSA-N
XLogP1.91
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;5-[[1-(methoxymethyl)cyclopropyl]methyl]-2-oxa-5-azabicyclo[2.2.1]heptane?
The IUPAC name of ethane;5-[[1-(methoxymethyl)cyclopropyl]methyl]-2-oxa-5-azabicyclo[2.2.1]heptane (CID 169132060) is ethane;5-[[1-(methoxymethyl)cyclopropyl]methyl]-2-oxa-5-azabicyclo[2.2.1]heptane.
What is the SMILES notation for ethane;5-[[1-(methoxymethyl)cyclopropyl]methyl]-2-oxa-5-azabicyclo[2.2.1]heptane?
The canonical SMILES for ethane;5-[[1-(methoxymethyl)cyclopropyl]methyl]-2-oxa-5-azabicyclo[2.2.1]heptane is CC.COCC1(CN2CC3CC2CO3)CC1.
What is the InChIKey of ethane;5-[[1-(methoxymethyl)cyclopropyl]methyl]-2-oxa-5-azabicyclo[2.2.1]heptane?
The InChIKey is MRWVGTFECYWCCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2.C2H6/c1-13-8-11(2-3-11)7-12-5-10-4-9(12)6-14-10;1-2/h9-10H,2-8H2,1H3;1-2H3.
What are the key properties of ethane;5-[[1-(methoxymethyl)cyclopropyl]methyl]-2-oxa-5-azabicyclo[2.2.1]heptane?
ethane;5-[[1-(methoxymethyl)cyclopropyl]methyl]-2-oxa-5-azabicyclo[2.2.1]heptane has a molecular weight of 227.35 g/mol, XLogP of 1.91, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-[[1-(methoxymethyl)cyclopropyl]methyl]-2-oxa-5-azabicyclo[2.2.1]heptane is sourced from PubChem (CID 169132060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).