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

C11H22N2O — CID 169228891

IUPAC1-[8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]-N-methylmethanamine
SMILESCNCC1CCC2(COC)CCCN12
InChIInChI=1S/C11H22N2O/c1-12-8-10-4-6-11(9-14-2)5-3-7-13(10)11/h10,12H,3-9H2,1-2H3
InChIKeyJXXUOTJXRNXGQK-UHFFFAOYSA-N
MW198.31 g/mol
LogP0.85
Rot. Bonds4

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

1-[8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]-N-methylmethanamine (PubChem CID 169228891) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 1-[8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]-N-methylmethanamine
PubChem CID169228891
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name1-[8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]-N-methylmethanamine
SMILESCNCC1CCC2(COC)CCCN12
InChIInChI=1S/C11H22N2O/c1-12-8-10-4-6-11(9-14-2)5-3-7-13(10)11/h10,12H,3-9H2,1-2H3
InChIKeyJXXUOTJXRNXGQK-UHFFFAOYSA-N
XLogP0.85
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

CID 156125538
CID 156125538
CID 168881195
CID 168881195
CID 168881593
CID 168881593
CID 169254800
CID 169254800
CID 169849574
CID 169849574
CID 169849576
CID 169849576
CID 169849577
CID 169849577
CID 169849578
CID 169849578
CID 169858582
CID 169858582
CID 178441061
CID 178441061
CID 67943586
CID 67943586
CID 162736782
CID 162736782

Frequently Asked Questions

What is the IUPAC name of 1-[8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]-N-methylmethanamine (CID 169228891) is 1-[8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]-N-methylmethanamine is CNCC1CCC2(COC)CCCN12.
What is the InChIKey of 1-[8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]-N-methylmethanamine?
The InChIKey is JXXUOTJXRNXGQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-12-8-10-4-6-11(9-14-2)5-3-7-13(10)11/h10,12H,3-9H2,1-2H3.
What are the key properties of 1-[8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]-N-methylmethanamine?
1-[8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]-N-methylmethanamine has a molecular weight of 198.31 g/mol, XLogP of 0.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]-N-methylmethanamine is sourced from PubChem (CID 169228891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).