ethane;1-[8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]-N-methylmethanamine

C13H28N2O — CID 169228987

IUPACethane;1-[8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]-N-methylmethanamine
SMILESCC.CNCC1CCC2(COC)CCCN12
InChIInChI=1S/C11H22N2O.C2H6/c1-12-8-10-4-6-11(9-14-2)5-3-7-13(10)11;1-2/h10,12H,3-9H2,1-2H3;1-2H3
InChIKeyWAVQANAKTXBIOD-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.88
Rot. Bonds4

About ethane;1-[8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]-N-methylmethanamine

ethane;1-[8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]-N-methylmethanamine (PubChem CID 169228987) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is ethane;1-[8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Nameethane;1-[8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]-N-methylmethanamine
PubChem CID169228987
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Nameethane;1-[8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]-N-methylmethanamine
SMILESCC.CNCC1CCC2(COC)CCCN12
InChIInChI=1S/C11H22N2O.C2H6/c1-12-8-10-4-6-11(9-14-2)5-3-7-13(10)11;1-2/h10,12H,3-9H2,1-2H3;1-2H3
InChIKeyWAVQANAKTXBIOD-UHFFFAOYSA-N
XLogP1.88
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;1-[8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]-N-methylmethanamine?
The IUPAC name of ethane;1-[8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]-N-methylmethanamine (CID 169228987) is ethane;1-[8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]-N-methylmethanamine.
What is the SMILES notation for ethane;1-[8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]-N-methylmethanamine?
The canonical SMILES for ethane;1-[8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]-N-methylmethanamine is CC.CNCC1CCC2(COC)CCCN12.
What is the InChIKey of ethane;1-[8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]-N-methylmethanamine?
The InChIKey is WAVQANAKTXBIOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O.C2H6/c1-12-8-10-4-6-11(9-14-2)5-3-7-13(10)11;1-2/h10,12H,3-9H2,1-2H3;1-2H3.
What are the key properties of ethane;1-[8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]-N-methylmethanamine?
ethane;1-[8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]-N-methylmethanamine has a molecular weight of 228.38 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]-N-methylmethanamine is sourced from PubChem (CID 169228987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).