8-(methoxymethyl)-N,N-dimethyl-1,2,3,5,6,7-hexahydropyrrolizin-2-amine

C11H22N2O — CID 169228778

IUPAC8-(methoxymethyl)-N,N-dimethyl-1,2,3,5,6,7-hexahydropyrrolizin-2-amine
SMILESCOCC12CCCN1CC(N(C)C)C2
InChIInChI=1S/C11H22N2O/c1-12(2)10-7-11(9-14-3)5-4-6-13(11)8-10/h10H,4-9H2,1-3H3
InChIKeyOQTAVSLYLNJUPJ-UHFFFAOYSA-N
MW198.31 g/mol
LogP0.80
Rot. Bonds3

About 8-(methoxymethyl)-N,N-dimethyl-1,2,3,5,6,7-hexahydropyrrolizin-2-amine

8-(methoxymethyl)-N,N-dimethyl-1,2,3,5,6,7-hexahydropyrrolizin-2-amine (PubChem CID 169228778) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 8-(methoxymethyl)-N,N-dimethyl-1,2,3,5,6,7-hexahydropyrrolizin-2-amine.

Molecular Properties

Compound Name8-(methoxymethyl)-N,N-dimethyl-1,2,3,5,6,7-hexahydropyrrolizin-2-amine
PubChem CID169228778
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name8-(methoxymethyl)-N,N-dimethyl-1,2,3,5,6,7-hexahydropyrrolizin-2-amine
SMILESCOCC12CCCN1CC(N(C)C)C2
InChIInChI=1S/C11H22N2O/c1-12(2)10-7-11(9-14-3)5-4-6-13(11)8-10/h10H,4-9H2,1-3H3
InChIKeyOQTAVSLYLNJUPJ-UHFFFAOYSA-N
XLogP0.80
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-(methoxymethyl)-N,N-dimethyl-1,2,3,5,6,7-hexahydropyrrolizin-2-amine?
The IUPAC name of 8-(methoxymethyl)-N,N-dimethyl-1,2,3,5,6,7-hexahydropyrrolizin-2-amine (CID 169228778) is 8-(methoxymethyl)-N,N-dimethyl-1,2,3,5,6,7-hexahydropyrrolizin-2-amine.
What is the SMILES notation for 8-(methoxymethyl)-N,N-dimethyl-1,2,3,5,6,7-hexahydropyrrolizin-2-amine?
The canonical SMILES for 8-(methoxymethyl)-N,N-dimethyl-1,2,3,5,6,7-hexahydropyrrolizin-2-amine is COCC12CCCN1CC(N(C)C)C2.
What is the InChIKey of 8-(methoxymethyl)-N,N-dimethyl-1,2,3,5,6,7-hexahydropyrrolizin-2-amine?
The InChIKey is OQTAVSLYLNJUPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-12(2)10-7-11(9-14-3)5-4-6-13(11)8-10/h10H,4-9H2,1-3H3.
What are the key properties of 8-(methoxymethyl)-N,N-dimethyl-1,2,3,5,6,7-hexahydropyrrolizin-2-amine?
8-(methoxymethyl)-N,N-dimethyl-1,2,3,5,6,7-hexahydropyrrolizin-2-amine has a molecular weight of 198.31 g/mol, XLogP of 0.80, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(methoxymethyl)-N,N-dimethyl-1,2,3,5,6,7-hexahydropyrrolizin-2-amine is sourced from PubChem (CID 169228778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).