1-[3-(methoxymethyl)pyrrolidin-1-yl]ethanimine

C8H16N2O — CID 64581226

IUPAC1-[3-(methoxymethyl)pyrrolidin-1-yl]ethanimine
SMILES[H]/N=C(\C)N1CCC(COC)C1
InChIInChI=1S/C8H16N2O/c1-7(9)10-4-3-8(5-10)6-11-2/h8-9H,3-6H2,1-2H3/b9-7+
InChIKeyGPRDYBLSDSYEBE-VQHVLOKHSA-N
MW156.23 g/mol
LogP0.95
Rot. Bonds2

About 1-[3-(methoxymethyl)pyrrolidin-1-yl]ethanimine

1-[3-(methoxymethyl)pyrrolidin-1-yl]ethanimine (PubChem CID 64581226) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is 1-[3-(methoxymethyl)pyrrolidin-1-yl]ethanimine.

Molecular Properties

Compound Name1-[3-(methoxymethyl)pyrrolidin-1-yl]ethanimine
PubChem CID64581226
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name1-[3-(methoxymethyl)pyrrolidin-1-yl]ethanimine
SMILES[H]/N=C(\C)N1CCC(COC)C1
InChIInChI=1S/C8H16N2O/c1-7(9)10-4-3-8(5-10)6-11-2/h8-9H,3-6H2,1-2H3/b9-7+
InChIKeyGPRDYBLSDSYEBE-VQHVLOKHSA-N
XLogP0.95
TPSA36.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 50.95
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-(methoxymethyl)pyrrolidin-1-yl]ethanimine?
The IUPAC name of 1-[3-(methoxymethyl)pyrrolidin-1-yl]ethanimine (CID 64581226) is 1-[3-(methoxymethyl)pyrrolidin-1-yl]ethanimine.
What is the SMILES notation for 1-[3-(methoxymethyl)pyrrolidin-1-yl]ethanimine?
The canonical SMILES for 1-[3-(methoxymethyl)pyrrolidin-1-yl]ethanimine is [H]/N=C(\C)N1CCC(COC)C1.
What is the InChIKey of 1-[3-(methoxymethyl)pyrrolidin-1-yl]ethanimine?
The InChIKey is GPRDYBLSDSYEBE-VQHVLOKHSA-N. The full InChI is InChI=1S/C8H16N2O/c1-7(9)10-4-3-8(5-10)6-11-2/h8-9H,3-6H2,1-2H3/b9-7+.
What are the key properties of 1-[3-(methoxymethyl)pyrrolidin-1-yl]ethanimine?
1-[3-(methoxymethyl)pyrrolidin-1-yl]ethanimine has a molecular weight of 156.23 g/mol, XLogP of 0.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(methoxymethyl)pyrrolidin-1-yl]ethanimine is sourced from PubChem (CID 64581226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).