2-[(4Z)-1-ethyl-4-methoxyiminopyrrolidin-3-yl]ethanamine

C9H19N3O — CID 88969633

IUPAC2-[(4Z)-1-ethyl-4-methoxyiminopyrrolidin-3-yl]ethanamine
SMILESCCN1C/C(=N\OC)C(CCN)C1
InChIInChI=1S/C9H19N3O/c1-3-12-6-8(4-5-10)9(7-12)11-13-2/h8H,3-7,10H2,1-2H3/b11-9+
InChIKeyHHUQQOZVZZBIEB-PKNBQFBNSA-N
MW185.27 g/mol
LogP0.29
Rot. Bonds4

About 2-[(4Z)-1-ethyl-4-methoxyiminopyrrolidin-3-yl]ethanamine

2-[(4Z)-1-ethyl-4-methoxyiminopyrrolidin-3-yl]ethanamine (PubChem CID 88969633) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is 2-[(4Z)-1-ethyl-4-methoxyiminopyrrolidin-3-yl]ethanamine.

Molecular Properties

Compound Name2-[(4Z)-1-ethyl-4-methoxyiminopyrrolidin-3-yl]ethanamine
PubChem CID88969633
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC Name2-[(4Z)-1-ethyl-4-methoxyiminopyrrolidin-3-yl]ethanamine
SMILESCCN1C/C(=N\OC)C(CCN)C1
InChIInChI=1S/C9H19N3O/c1-3-12-6-8(4-5-10)9(7-12)11-13-2/h8H,3-7,10H2,1-2H3/b11-9+
InChIKeyHHUQQOZVZZBIEB-PKNBQFBNSA-N
XLogP0.29
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(4Z)-1-ethyl-4-methoxyiminopyrrolidin-3-yl]ethanamine?
The IUPAC name of 2-[(4Z)-1-ethyl-4-methoxyiminopyrrolidin-3-yl]ethanamine (CID 88969633) is 2-[(4Z)-1-ethyl-4-methoxyiminopyrrolidin-3-yl]ethanamine.
What is the SMILES notation for 2-[(4Z)-1-ethyl-4-methoxyiminopyrrolidin-3-yl]ethanamine?
The canonical SMILES for 2-[(4Z)-1-ethyl-4-methoxyiminopyrrolidin-3-yl]ethanamine is CCN1C/C(=N\OC)C(CCN)C1.
What is the InChIKey of 2-[(4Z)-1-ethyl-4-methoxyiminopyrrolidin-3-yl]ethanamine?
The InChIKey is HHUQQOZVZZBIEB-PKNBQFBNSA-N. The full InChI is InChI=1S/C9H19N3O/c1-3-12-6-8(4-5-10)9(7-12)11-13-2/h8H,3-7,10H2,1-2H3/b11-9+.
What are the key properties of 2-[(4Z)-1-ethyl-4-methoxyiminopyrrolidin-3-yl]ethanamine?
2-[(4Z)-1-ethyl-4-methoxyiminopyrrolidin-3-yl]ethanamine has a molecular weight of 185.27 g/mol, XLogP of 0.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4Z)-1-ethyl-4-methoxyiminopyrrolidin-3-yl]ethanamine is sourced from PubChem (CID 88969633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).