2-propoxy-1-pyrrolidin-1-ylethanimine

C9H18N2O — CID 63179473

IUPAC2-propoxy-1-pyrrolidin-1-ylethanimine
SMILES[H]/N=C(\COCCC)N1CCCC1
InChIInChI=1S/C9H18N2O/c1-2-7-12-8-9(10)11-5-3-4-6-11/h10H,2-8H2,1H3/b10-9+
InChIKeyQEUWJJGBMVKHPO-MDZDMXLPSA-N
MW170.26 g/mol
LogP1.49
Rot. Bonds4

About 2-propoxy-1-pyrrolidin-1-ylethanimine

2-propoxy-1-pyrrolidin-1-ylethanimine (PubChem CID 63179473) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 2-propoxy-1-pyrrolidin-1-ylethanimine.

Molecular Properties

Compound Name2-propoxy-1-pyrrolidin-1-ylethanimine
PubChem CID63179473
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name2-propoxy-1-pyrrolidin-1-ylethanimine
SMILES[H]/N=C(\COCCC)N1CCCC1
InChIInChI=1S/C9H18N2O/c1-2-7-12-8-9(10)11-5-3-4-6-11/h10H,2-8H2,1H3/b10-9+
InChIKeyQEUWJJGBMVKHPO-MDZDMXLPSA-N
XLogP1.49
TPSA36.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 2-propoxy-1-pyrrolidin-1-ylethanimine?
The IUPAC name of 2-propoxy-1-pyrrolidin-1-ylethanimine (CID 63179473) is 2-propoxy-1-pyrrolidin-1-ylethanimine.
What is the SMILES notation for 2-propoxy-1-pyrrolidin-1-ylethanimine?
The canonical SMILES for 2-propoxy-1-pyrrolidin-1-ylethanimine is [H]/N=C(\COCCC)N1CCCC1.
What is the InChIKey of 2-propoxy-1-pyrrolidin-1-ylethanimine?
The InChIKey is QEUWJJGBMVKHPO-MDZDMXLPSA-N. The full InChI is InChI=1S/C9H18N2O/c1-2-7-12-8-9(10)11-5-3-4-6-11/h10H,2-8H2,1H3/b10-9+.
What are the key properties of 2-propoxy-1-pyrrolidin-1-ylethanimine?
2-propoxy-1-pyrrolidin-1-ylethanimine has a molecular weight of 170.26 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propoxy-1-pyrrolidin-1-ylethanimine is sourced from PubChem (CID 63179473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).