2-(4-ethoxy-2-iminopiperidin-1-yl)ethanamine

C9H19N3O — CID 175380973

IUPAC2-(4-ethoxy-2-iminopiperidin-1-yl)ethanamine
SMILES[H]/N=C1\CC(OCC)CCN1CCN
InChIInChI=1S/C9H19N3O/c1-2-13-8-3-5-12(6-4-10)9(11)7-8/h8,11H,2-7,10H2,1H3/b11-9+
InChIKeyBNLWMCVHXFEIRX-PKNBQFBNSA-N
MW185.27 g/mol
LogP0.42
Rot. Bonds4

About 2-(4-ethoxy-2-iminopiperidin-1-yl)ethanamine

2-(4-ethoxy-2-iminopiperidin-1-yl)ethanamine (PubChem CID 175380973) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is 2-(4-ethoxy-2-iminopiperidin-1-yl)ethanamine.

Molecular Properties

Compound Name2-(4-ethoxy-2-iminopiperidin-1-yl)ethanamine
PubChem CID175380973
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC Name2-(4-ethoxy-2-iminopiperidin-1-yl)ethanamine
SMILES[H]/N=C1\CC(OCC)CCN1CCN
InChIInChI=1S/C9H19N3O/c1-2-13-8-3-5-12(6-4-10)9(11)7-8/h8,11H,2-7,10H2,1H3/b11-9+
InChIKeyBNLWMCVHXFEIRX-PKNBQFBNSA-N
XLogP0.42
TPSA62.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxy-2-iminopiperidin-1-yl)ethanamine?
The IUPAC name of 2-(4-ethoxy-2-iminopiperidin-1-yl)ethanamine (CID 175380973) is 2-(4-ethoxy-2-iminopiperidin-1-yl)ethanamine.
What is the SMILES notation for 2-(4-ethoxy-2-iminopiperidin-1-yl)ethanamine?
The canonical SMILES for 2-(4-ethoxy-2-iminopiperidin-1-yl)ethanamine is [H]/N=C1\CC(OCC)CCN1CCN.
What is the InChIKey of 2-(4-ethoxy-2-iminopiperidin-1-yl)ethanamine?
The InChIKey is BNLWMCVHXFEIRX-PKNBQFBNSA-N. The full InChI is InChI=1S/C9H19N3O/c1-2-13-8-3-5-12(6-4-10)9(11)7-8/h8,11H,2-7,10H2,1H3/b11-9+.
What are the key properties of 2-(4-ethoxy-2-iminopiperidin-1-yl)ethanamine?
2-(4-ethoxy-2-iminopiperidin-1-yl)ethanamine has a molecular weight of 185.27 g/mol, XLogP of 0.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxy-2-iminopiperidin-1-yl)ethanamine is sourced from PubChem (CID 175380973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).