8-(methoxymethyl)-3,5-dimethyl-1,2,3,5,6,7-hexahydropyrrolizine

C11H21NO — CID 67943586

IUPAC8-(methoxymethyl)-3,5-dimethyl-1,2,3,5,6,7-hexahydropyrrolizine
SMILESCOCC12CCC(C)N1C(C)CC2
InChIInChI=1S/C11H21NO/c1-9-4-6-11(8-13-3)7-5-10(2)12(9)11/h9-10H,4-8H2,1-3H3
InChIKeyHNPMMHFZDAJTMI-UHFFFAOYSA-N
MW183.29 g/mol
LogP2.04
Rot. Bonds2

About 8-(methoxymethyl)-3,5-dimethyl-1,2,3,5,6,7-hexahydropyrrolizine

8-(methoxymethyl)-3,5-dimethyl-1,2,3,5,6,7-hexahydropyrrolizine (PubChem CID 67943586) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 8-(methoxymethyl)-3,5-dimethyl-1,2,3,5,6,7-hexahydropyrrolizine.

Molecular Properties

Compound Name8-(methoxymethyl)-3,5-dimethyl-1,2,3,5,6,7-hexahydropyrrolizine
PubChem CID67943586
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name8-(methoxymethyl)-3,5-dimethyl-1,2,3,5,6,7-hexahydropyrrolizine
SMILESCOCC12CCC(C)N1C(C)CC2
InChIInChI=1S/C11H21NO/c1-9-4-6-11(8-13-3)7-5-10(2)12(9)11/h9-10H,4-8H2,1-3H3
InChIKeyHNPMMHFZDAJTMI-UHFFFAOYSA-N
XLogP2.04
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-(methoxymethyl)-3,5-dimethyl-1,2,3,5,6,7-hexahydropyrrolizine?
The IUPAC name of 8-(methoxymethyl)-3,5-dimethyl-1,2,3,5,6,7-hexahydropyrrolizine (CID 67943586) is 8-(methoxymethyl)-3,5-dimethyl-1,2,3,5,6,7-hexahydropyrrolizine.
What is the SMILES notation for 8-(methoxymethyl)-3,5-dimethyl-1,2,3,5,6,7-hexahydropyrrolizine?
The canonical SMILES for 8-(methoxymethyl)-3,5-dimethyl-1,2,3,5,6,7-hexahydropyrrolizine is COCC12CCC(C)N1C(C)CC2.
What is the InChIKey of 8-(methoxymethyl)-3,5-dimethyl-1,2,3,5,6,7-hexahydropyrrolizine?
The InChIKey is HNPMMHFZDAJTMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-9-4-6-11(8-13-3)7-5-10(2)12(9)11/h9-10H,4-8H2,1-3H3.
What are the key properties of 8-(methoxymethyl)-3,5-dimethyl-1,2,3,5,6,7-hexahydropyrrolizine?
8-(methoxymethyl)-3,5-dimethyl-1,2,3,5,6,7-hexahydropyrrolizine has a molecular weight of 183.29 g/mol, XLogP of 2.04, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(methoxymethyl)-3,5-dimethyl-1,2,3,5,6,7-hexahydropyrrolizine is sourced from PubChem (CID 67943586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).