8-(ethoxymethyl)-N-ethyl-N-methyl-1,2,3,5,6,7-hexahydropyrrolizin-2-amine

C13H26N2O — CID 169257897

IUPAC8-(ethoxymethyl)-N-ethyl-N-methyl-1,2,3,5,6,7-hexahydropyrrolizin-2-amine
SMILESCCOCC12CCCN1CC(N(C)CC)C2
InChIInChI=1S/C13H26N2O/c1-4-14(3)12-9-13(11-16-5-2)7-6-8-15(13)10-12/h12H,4-11H2,1-3H3
InChIKeyNZARDENOGXZCSX-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.58
Rot. Bonds5

About 8-(ethoxymethyl)-N-ethyl-N-methyl-1,2,3,5,6,7-hexahydropyrrolizin-2-amine

8-(ethoxymethyl)-N-ethyl-N-methyl-1,2,3,5,6,7-hexahydropyrrolizin-2-amine (PubChem CID 169257897) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 8-(ethoxymethyl)-N-ethyl-N-methyl-1,2,3,5,6,7-hexahydropyrrolizin-2-amine.

Molecular Properties

Compound Name8-(ethoxymethyl)-N-ethyl-N-methyl-1,2,3,5,6,7-hexahydropyrrolizin-2-amine
PubChem CID169257897
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name8-(ethoxymethyl)-N-ethyl-N-methyl-1,2,3,5,6,7-hexahydropyrrolizin-2-amine
SMILESCCOCC12CCCN1CC(N(C)CC)C2
InChIInChI=1S/C13H26N2O/c1-4-14(3)12-9-13(11-16-5-2)7-6-8-15(13)10-12/h12H,4-11H2,1-3H3
InChIKeyNZARDENOGXZCSX-UHFFFAOYSA-N
XLogP1.58
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-(ethoxymethyl)-N-ethyl-N-methyl-1,2,3,5,6,7-hexahydropyrrolizin-2-amine?
The IUPAC name of 8-(ethoxymethyl)-N-ethyl-N-methyl-1,2,3,5,6,7-hexahydropyrrolizin-2-amine (CID 169257897) is 8-(ethoxymethyl)-N-ethyl-N-methyl-1,2,3,5,6,7-hexahydropyrrolizin-2-amine.
What is the SMILES notation for 8-(ethoxymethyl)-N-ethyl-N-methyl-1,2,3,5,6,7-hexahydropyrrolizin-2-amine?
The canonical SMILES for 8-(ethoxymethyl)-N-ethyl-N-methyl-1,2,3,5,6,7-hexahydropyrrolizin-2-amine is CCOCC12CCCN1CC(N(C)CC)C2.
What is the InChIKey of 8-(ethoxymethyl)-N-ethyl-N-methyl-1,2,3,5,6,7-hexahydropyrrolizin-2-amine?
The InChIKey is NZARDENOGXZCSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-4-14(3)12-9-13(11-16-5-2)7-6-8-15(13)10-12/h12H,4-11H2,1-3H3.
What are the key properties of 8-(ethoxymethyl)-N-ethyl-N-methyl-1,2,3,5,6,7-hexahydropyrrolizin-2-amine?
8-(ethoxymethyl)-N-ethyl-N-methyl-1,2,3,5,6,7-hexahydropyrrolizin-2-amine has a molecular weight of 226.36 g/mol, XLogP of 1.58, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(ethoxymethyl)-N-ethyl-N-methyl-1,2,3,5,6,7-hexahydropyrrolizin-2-amine is sourced from PubChem (CID 169257897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).