1-(2,6-dimethoxyphenyl)-N-(1-ethylpyrrolidin-2-yl)ethanimine

C16H24N2O2 — CID 173481763

IUPAC1-(2,6-dimethoxyphenyl)-N-(1-ethylpyrrolidin-2-yl)ethanimine
SMILESCCN1CCCC1N=C(C)c1c(OC)cccc1OC
InChIInChI=1S/C16H24N2O2/c1-5-18-11-7-10-15(18)17-12(2)16-13(19-3)8-6-9-14(16)20-4/h6,8-9,15H,5,7,10-11H2,1-4H3
InChIKeyBDZDPSVUTIXRFZ-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.95
Rot. Bonds5

About 1-(2,6-dimethoxyphenyl)-N-(1-ethylpyrrolidin-2-yl)ethanimine

1-(2,6-dimethoxyphenyl)-N-(1-ethylpyrrolidin-2-yl)ethanimine (PubChem CID 173481763) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-(2,6-dimethoxyphenyl)-N-(1-ethylpyrrolidin-2-yl)ethanimine.

Molecular Properties

Compound Name1-(2,6-dimethoxyphenyl)-N-(1-ethylpyrrolidin-2-yl)ethanimine
PubChem CID173481763
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name1-(2,6-dimethoxyphenyl)-N-(1-ethylpyrrolidin-2-yl)ethanimine
SMILESCCN1CCCC1N=C(C)c1c(OC)cccc1OC
InChIInChI=1S/C16H24N2O2/c1-5-18-11-7-10-15(18)17-12(2)16-13(19-3)8-6-9-14(16)20-4/h6,8-9,15H,5,7,10-11H2,1-4H3
InChIKeyBDZDPSVUTIXRFZ-UHFFFAOYSA-N
XLogP2.95
TPSA34.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethoxyphenyl)-N-(1-ethylpyrrolidin-2-yl)ethanimine?
The IUPAC name of 1-(2,6-dimethoxyphenyl)-N-(1-ethylpyrrolidin-2-yl)ethanimine (CID 173481763) is 1-(2,6-dimethoxyphenyl)-N-(1-ethylpyrrolidin-2-yl)ethanimine.
What is the SMILES notation for 1-(2,6-dimethoxyphenyl)-N-(1-ethylpyrrolidin-2-yl)ethanimine?
The canonical SMILES for 1-(2,6-dimethoxyphenyl)-N-(1-ethylpyrrolidin-2-yl)ethanimine is CCN1CCCC1N=C(C)c1c(OC)cccc1OC.
What is the InChIKey of 1-(2,6-dimethoxyphenyl)-N-(1-ethylpyrrolidin-2-yl)ethanimine?
The InChIKey is BDZDPSVUTIXRFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-5-18-11-7-10-15(18)17-12(2)16-13(19-3)8-6-9-14(16)20-4/h6,8-9,15H,5,7,10-11H2,1-4H3.
What are the key properties of 1-(2,6-dimethoxyphenyl)-N-(1-ethylpyrrolidin-2-yl)ethanimine?
1-(2,6-dimethoxyphenyl)-N-(1-ethylpyrrolidin-2-yl)ethanimine has a molecular weight of 276.38 g/mol, XLogP of 2.95, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethoxyphenyl)-N-(1-ethylpyrrolidin-2-yl)ethanimine is sourced from PubChem (CID 173481763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).