(Z)-1-ethoxy-N-methyl-1-piperidin-2-ylhex-3-en-2-imine

C14H26N2O — CID 144549816

IUPAC(Z)-1-ethoxy-N-methyl-1-piperidin-2-ylhex-3-en-2-imine
SMILESCC/C=C\C(=N/C)C(OCC)C1CCCCN1
InChIInChI=1S/C14H26N2O/c1-4-6-9-12(15-3)14(17-5-2)13-10-7-8-11-16-13/h6,9,13-14,16H,4-5,7-8,10-11H2,1-3H3/b9-6-,15-12+
InChIKeyFESGUQAVBMMLLG-KWPWAGEESA-N
MW238.37 g/mol
LogP2.57
Rot. Bonds6

About (Z)-1-ethoxy-N-methyl-1-piperidin-2-ylhex-3-en-2-imine

(Z)-1-ethoxy-N-methyl-1-piperidin-2-ylhex-3-en-2-imine (PubChem CID 144549816) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is (Z)-1-ethoxy-N-methyl-1-piperidin-2-ylhex-3-en-2-imine.

Molecular Properties

Compound Name(Z)-1-ethoxy-N-methyl-1-piperidin-2-ylhex-3-en-2-imine
PubChem CID144549816
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name(Z)-1-ethoxy-N-methyl-1-piperidin-2-ylhex-3-en-2-imine
SMILESCC/C=C\C(=N/C)C(OCC)C1CCCCN1
InChIInChI=1S/C14H26N2O/c1-4-6-9-12(15-3)14(17-5-2)13-10-7-8-11-16-13/h6,9,13-14,16H,4-5,7-8,10-11H2,1-3H3/b9-6-,15-12+
InChIKeyFESGUQAVBMMLLG-KWPWAGEESA-N
XLogP2.57
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 52.57
H-Bond Donors ≤ 51
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 (Z)-1-ethoxy-N-methyl-1-piperidin-2-ylhex-3-en-2-imine?
The IUPAC name of (Z)-1-ethoxy-N-methyl-1-piperidin-2-ylhex-3-en-2-imine (CID 144549816) is (Z)-1-ethoxy-N-methyl-1-piperidin-2-ylhex-3-en-2-imine.
What is the SMILES notation for (Z)-1-ethoxy-N-methyl-1-piperidin-2-ylhex-3-en-2-imine?
The canonical SMILES for (Z)-1-ethoxy-N-methyl-1-piperidin-2-ylhex-3-en-2-imine is CC/C=C\C(=N/C)C(OCC)C1CCCCN1.
What is the InChIKey of (Z)-1-ethoxy-N-methyl-1-piperidin-2-ylhex-3-en-2-imine?
The InChIKey is FESGUQAVBMMLLG-KWPWAGEESA-N. The full InChI is InChI=1S/C14H26N2O/c1-4-6-9-12(15-3)14(17-5-2)13-10-7-8-11-16-13/h6,9,13-14,16H,4-5,7-8,10-11H2,1-3H3/b9-6-,15-12+.
What are the key properties of (Z)-1-ethoxy-N-methyl-1-piperidin-2-ylhex-3-en-2-imine?
(Z)-1-ethoxy-N-methyl-1-piperidin-2-ylhex-3-en-2-imine has a molecular weight of 238.37 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-ethoxy-N-methyl-1-piperidin-2-ylhex-3-en-2-imine is sourced from PubChem (CID 144549816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).