1-(3,4-dimethoxypyrrolidin-1-yl)ethanimine

C8H16N2O2 — CID 103540486

IUPAC1-(3,4-dimethoxypyrrolidin-1-yl)ethanimine
SMILES[H]/N=C(\C)N1CC(OC)C(OC)C1
InChIInChI=1S/C8H16N2O2/c1-6(9)10-4-7(11-2)8(5-10)12-3/h7-9H,4-5H2,1-3H3/b9-6+
InChIKeyJWJXYQLUXRQIPE-RMKNXTFCSA-N
MW172.23 g/mol
LogP0.33
Rot. Bonds2

About 1-(3,4-dimethoxypyrrolidin-1-yl)ethanimine

1-(3,4-dimethoxypyrrolidin-1-yl)ethanimine (PubChem CID 103540486) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 1-(3,4-dimethoxypyrrolidin-1-yl)ethanimine.

Molecular Properties

Compound Name1-(3,4-dimethoxypyrrolidin-1-yl)ethanimine
PubChem CID103540486
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Name1-(3,4-dimethoxypyrrolidin-1-yl)ethanimine
SMILES[H]/N=C(\C)N1CC(OC)C(OC)C1
InChIInChI=1S/C8H16N2O2/c1-6(9)10-4-7(11-2)8(5-10)12-3/h7-9H,4-5H2,1-3H3/b9-6+
InChIKeyJWJXYQLUXRQIPE-RMKNXTFCSA-N
XLogP0.33
TPSA45.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-(3-Methoxypyrrolidin-1-yl)ethanimine
CID 18727527
1-(3-Methoxypyrrolidin-1-yl)propan-1-imine
CID 103540480
1-(3-Propan-2-yloxypyrrolidin-1-yl)ethanimine
CID 117882713
(3R,4S)-1-ethanimidoyl-4-methoxy-3-methylpyrrolidin-3-ol
CID 126678732
ethane;1-[(3S)-3-methoxypyrrolidin-1-yl]ethanimine
CID 142000930
1-(3,4-Dimethoxy-1-azacyclooct-5-yn-1-yl)ethanimine
CID 144657332
1-[3-[(2-Methylpropan-2-yl)oxy]pyrrolidin-1-yl]ethanimine
CID 20765496
1-(2-Ethoxyethyl)pyrrolidin-2-imine
CID 43591154
1-(1,4-Dioxan-2-ylmethyl)pyrrolidin-2-imine
CID 61024989
1-[2-(2-Methoxyethoxy)ethyl]pyrrolidin-2-imine
CID 61850244
2-Propoxy-1-pyrrolidin-1-ylethanimine
CID 63179473
2-Ethoxy-1-pyrrolidin-1-ylpropan-1-imine
CID 64532830

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxypyrrolidin-1-yl)ethanimine?
The IUPAC name of 1-(3,4-dimethoxypyrrolidin-1-yl)ethanimine (CID 103540486) is 1-(3,4-dimethoxypyrrolidin-1-yl)ethanimine.
What is the SMILES notation for 1-(3,4-dimethoxypyrrolidin-1-yl)ethanimine?
The canonical SMILES for 1-(3,4-dimethoxypyrrolidin-1-yl)ethanimine is [H]/N=C(\C)N1CC(OC)C(OC)C1.
What is the InChIKey of 1-(3,4-dimethoxypyrrolidin-1-yl)ethanimine?
The InChIKey is JWJXYQLUXRQIPE-RMKNXTFCSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-6(9)10-4-7(11-2)8(5-10)12-3/h7-9H,4-5H2,1-3H3/b9-6+.
What are the key properties of 1-(3,4-dimethoxypyrrolidin-1-yl)ethanimine?
1-(3,4-dimethoxypyrrolidin-1-yl)ethanimine has a molecular weight of 172.23 g/mol, XLogP of 0.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxypyrrolidin-1-yl)ethanimine is sourced from PubChem (CID 103540486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).