ethane;methanamine;8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine

C12H28N2O — CID 169255100

IUPACethane;methanamine;8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine
SMILESCC.CN.COCC12CCCN1CCC2
InChIInChI=1S/C9H17NO.C2H6.CH5N/c1-11-8-9-4-2-6-10(9)7-3-5-9;2*1-2/h2-8H2,1H3;1-2H3;2H2,1H3
InChIKeyZANLBDBLKVAOQP-UHFFFAOYSA-N
MW216.37 g/mol
LogP1.86
Rot. Bonds2

About ethane;methanamine;8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine

ethane;methanamine;8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine (PubChem CID 169255100) has the molecular formula C12H28N2O and a molecular weight of 216.37 g/mol. Its IUPAC name is ethane;methanamine;8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine.

Molecular Properties

Compound Nameethane;methanamine;8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine
PubChem CID169255100
Molecular FormulaC12H28N2O
Molecular Weight216.37 g/mol
Exact Mass216.22
IUPAC Nameethane;methanamine;8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine
SMILESCC.CN.COCC12CCCN1CCC2
InChIInChI=1S/C9H17NO.C2H6.CH5N/c1-11-8-9-4-2-6-10(9)7-3-5-9;2*1-2/h2-8H2,1H3;1-2H3;2H2,1H3
InChIKeyZANLBDBLKVAOQP-UHFFFAOYSA-N
XLogP1.86
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.37
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;methanamine;8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine?
The IUPAC name of ethane;methanamine;8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine (CID 169255100) is ethane;methanamine;8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine.
What is the SMILES notation for ethane;methanamine;8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine?
The canonical SMILES for ethane;methanamine;8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine is CC.CN.COCC12CCCN1CCC2.
What is the InChIKey of ethane;methanamine;8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine?
The InChIKey is ZANLBDBLKVAOQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO.C2H6.CH5N/c1-11-8-9-4-2-6-10(9)7-3-5-9;2*1-2/h2-8H2,1H3;1-2H3;2H2,1H3.
What are the key properties of ethane;methanamine;8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine?
ethane;methanamine;8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine has a molecular weight of 216.37 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methanamine;8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine is sourced from PubChem (CID 169255100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).