4-(4-ethoxy-2-iminopiperidin-1-yl)butan-1-amine

C11H23N3O — CID 174831682

IUPAC4-(4-ethoxy-2-iminopiperidin-1-yl)butan-1-amine
SMILES[H]/N=C1\CC(OCC)CCN1CCCCN
InChIInChI=1S/C11H23N3O/c1-2-15-10-5-8-14(11(13)9-10)7-4-3-6-12/h10,13H,2-9,12H2,1H3/b13-11+
InChIKeyALMXLPAUGMZYBK-ACCUITESSA-N
MW213.32 g/mol
LogP1.20
Rot. Bonds6

About 4-(4-ethoxy-2-iminopiperidin-1-yl)butan-1-amine

4-(4-ethoxy-2-iminopiperidin-1-yl)butan-1-amine (PubChem CID 174831682) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is 4-(4-ethoxy-2-iminopiperidin-1-yl)butan-1-amine.

Molecular Properties

Compound Name4-(4-ethoxy-2-iminopiperidin-1-yl)butan-1-amine
PubChem CID174831682
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC Name4-(4-ethoxy-2-iminopiperidin-1-yl)butan-1-amine
SMILES[H]/N=C1\CC(OCC)CCN1CCCCN
InChIInChI=1S/C11H23N3O/c1-2-15-10-5-8-14(11(13)9-10)7-4-3-6-12/h10,13H,2-9,12H2,1H3/b13-11+
InChIKeyALMXLPAUGMZYBK-ACCUITESSA-N
XLogP1.20
TPSA62.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-ethoxy-2-iminopiperidin-1-yl)butan-1-amine?
The IUPAC name of 4-(4-ethoxy-2-iminopiperidin-1-yl)butan-1-amine (CID 174831682) is 4-(4-ethoxy-2-iminopiperidin-1-yl)butan-1-amine.
What is the SMILES notation for 4-(4-ethoxy-2-iminopiperidin-1-yl)butan-1-amine?
The canonical SMILES for 4-(4-ethoxy-2-iminopiperidin-1-yl)butan-1-amine is [H]/N=C1\CC(OCC)CCN1CCCCN.
What is the InChIKey of 4-(4-ethoxy-2-iminopiperidin-1-yl)butan-1-amine?
The InChIKey is ALMXLPAUGMZYBK-ACCUITESSA-N. The full InChI is InChI=1S/C11H23N3O/c1-2-15-10-5-8-14(11(13)9-10)7-4-3-6-12/h10,13H,2-9,12H2,1H3/b13-11+.
What are the key properties of 4-(4-ethoxy-2-iminopiperidin-1-yl)butan-1-amine?
4-(4-ethoxy-2-iminopiperidin-1-yl)butan-1-amine has a molecular weight of 213.32 g/mol, XLogP of 1.20, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethoxy-2-iminopiperidin-1-yl)butan-1-amine is sourced from PubChem (CID 174831682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).