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

C13H26N2O2 — CID 164878675

IUPAC1-[[(3R,8R)-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]methoxy]-N,N-dimethylmethanamine
SMILESCOC[C@]12CCCN1[C@@H](COCN(C)C)CC2
InChIInChI=1S/C13H26N2O2/c1-14(2)11-17-9-12-5-7-13(10-16-3)6-4-8-15(12)13/h12H,4-11H2,1-3H3/t12-,13-/m1/s1
InChIKeyFSBOLDLXMOGEII-CHWSQXEVSA-N
MW242.36 g/mol
LogP1.17
Rot. Bonds6

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

1-[[(3R,8R)-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]methoxy]-N,N-dimethylmethanamine (PubChem CID 164878675) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 1-[[(3R,8R)-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]methoxy]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[[(3R,8R)-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]methoxy]-N,N-dimethylmethanamine
PubChem CID164878675
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name1-[[(3R,8R)-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]methoxy]-N,N-dimethylmethanamine
SMILESCOC[C@]12CCCN1[C@@H](COCN(C)C)CC2
InChIInChI=1S/C13H26N2O2/c1-14(2)11-17-9-12-5-7-13(10-16-3)6-4-8-15(12)13/h12H,4-11H2,1-3H3/t12-,13-/m1/s1
InChIKeyFSBOLDLXMOGEII-CHWSQXEVSA-N
XLogP1.17
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[[(3R,8R)-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]methoxy]-N,N-dimethylmethanamine?
The IUPAC name of 1-[[(3R,8R)-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]methoxy]-N,N-dimethylmethanamine (CID 164878675) is 1-[[(3R,8R)-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]methoxy]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[[(3R,8R)-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]methoxy]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[[(3R,8R)-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]methoxy]-N,N-dimethylmethanamine is COC[C@]12CCCN1[C@@H](COCN(C)C)CC2.
What is the InChIKey of 1-[[(3R,8R)-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]methoxy]-N,N-dimethylmethanamine?
The InChIKey is FSBOLDLXMOGEII-CHWSQXEVSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-14(2)11-17-9-12-5-7-13(10-16-3)6-4-8-15(12)13/h12H,4-11H2,1-3H3/t12-,13-/m1/s1.
What are the key properties of 1-[[(3R,8R)-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]methoxy]-N,N-dimethylmethanamine?
1-[[(3R,8R)-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]methoxy]-N,N-dimethylmethanamine has a molecular weight of 242.36 g/mol, XLogP of 1.17, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(3R,8R)-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]methoxy]-N,N-dimethylmethanamine is sourced from PubChem (CID 164878675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).