1-(3-methoxypyrrolidin-1-yl)ethanimine

C7H14N2O — CID 18727527

IUPAC1-(3-methoxypyrrolidin-1-yl)ethanimine
SMILES[H]/N=C(\C)N1CCC(OC)C1
InChIInChI=1S/C7H14N2O/c1-6(8)9-4-3-7(5-9)10-2/h7-8H,3-5H2,1-2H3/b8-6+
InChIKeyTXNDZJKLCJFVAT-SOFGYWHQSA-N
MW142.20 g/mol
LogP0.70
Rot. Bonds1

About 1-(3-methoxypyrrolidin-1-yl)ethanimine

1-(3-methoxypyrrolidin-1-yl)ethanimine (PubChem CID 18727527) has the molecular formula C7H14N2O and a molecular weight of 142.20 g/mol. Its IUPAC name is 1-(3-methoxypyrrolidin-1-yl)ethanimine.

Molecular Properties

Compound Name1-(3-methoxypyrrolidin-1-yl)ethanimine
PubChem CID18727527
Molecular FormulaC7H14N2O
Molecular Weight142.20 g/mol
Exact Mass142.11
IUPAC Name1-(3-methoxypyrrolidin-1-yl)ethanimine
SMILES[H]/N=C(\C)N1CCC(OC)C1
InChIInChI=1S/C7H14N2O/c1-6(8)9-4-3-7(5-9)10-2/h7-8H,3-5H2,1-2H3/b8-6+
InChIKeyTXNDZJKLCJFVAT-SOFGYWHQSA-N
XLogP0.70
TPSA36.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxypyrrolidin-1-yl)ethanimine?
The IUPAC name of 1-(3-methoxypyrrolidin-1-yl)ethanimine (CID 18727527) is 1-(3-methoxypyrrolidin-1-yl)ethanimine.
What is the SMILES notation for 1-(3-methoxypyrrolidin-1-yl)ethanimine?
The canonical SMILES for 1-(3-methoxypyrrolidin-1-yl)ethanimine is [H]/N=C(\C)N1CCC(OC)C1.
What is the InChIKey of 1-(3-methoxypyrrolidin-1-yl)ethanimine?
The InChIKey is TXNDZJKLCJFVAT-SOFGYWHQSA-N. The full InChI is InChI=1S/C7H14N2O/c1-6(8)9-4-3-7(5-9)10-2/h7-8H,3-5H2,1-2H3/b8-6+.
What are the key properties of 1-(3-methoxypyrrolidin-1-yl)ethanimine?
1-(3-methoxypyrrolidin-1-yl)ethanimine has a molecular weight of 142.20 g/mol, XLogP of 0.70, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxypyrrolidin-1-yl)ethanimine is sourced from PubChem (CID 18727527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).