N-[(2Z)-2-(1-ethoxyethyl)penta-2,4-dienyl]oxan-4-amine

C14H25NO2 — CID 146359586

IUPACN-[(2Z)-2-(1-ethoxyethyl)penta-2,4-dienyl]oxan-4-amine
SMILESC=C/C=C(/CNC1CCOCC1)C(C)OCC
InChIInChI=1S/C14H25NO2/c1-4-6-13(12(3)17-5-2)11-15-14-7-9-16-10-8-14/h4,6,12,14-15H,1,5,7-11H2,2-3H3/b13-6-
InChIKeyADFHFMIGQDOFMB-MLPAPPSSSA-N
MW239.36 g/mol
LogP2.29
Rot. Bonds7

About N-[(2Z)-2-(1-ethoxyethyl)penta-2,4-dienyl]oxan-4-amine

N-[(2Z)-2-(1-ethoxyethyl)penta-2,4-dienyl]oxan-4-amine (PubChem CID 146359586) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is N-[(2Z)-2-(1-ethoxyethyl)penta-2,4-dienyl]oxan-4-amine.

Molecular Properties

Compound NameN-[(2Z)-2-(1-ethoxyethyl)penta-2,4-dienyl]oxan-4-amine
PubChem CID146359586
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC NameN-[(2Z)-2-(1-ethoxyethyl)penta-2,4-dienyl]oxan-4-amine
SMILESC=C/C=C(/CNC1CCOCC1)C(C)OCC
InChIInChI=1S/C14H25NO2/c1-4-6-13(12(3)17-5-2)11-15-14-7-9-16-10-8-14/h4,6,12,14-15H,1,5,7-11H2,2-3H3/b13-6-
InChIKeyADFHFMIGQDOFMB-MLPAPPSSSA-N
XLogP2.29
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(2Z)-2-(1-ethoxyethyl)penta-2,4-dienyl]oxan-4-amine?
The IUPAC name of N-[(2Z)-2-(1-ethoxyethyl)penta-2,4-dienyl]oxan-4-amine (CID 146359586) is N-[(2Z)-2-(1-ethoxyethyl)penta-2,4-dienyl]oxan-4-amine.
What is the SMILES notation for N-[(2Z)-2-(1-ethoxyethyl)penta-2,4-dienyl]oxan-4-amine?
The canonical SMILES for N-[(2Z)-2-(1-ethoxyethyl)penta-2,4-dienyl]oxan-4-amine is C=C/C=C(/CNC1CCOCC1)C(C)OCC.
What is the InChIKey of N-[(2Z)-2-(1-ethoxyethyl)penta-2,4-dienyl]oxan-4-amine?
The InChIKey is ADFHFMIGQDOFMB-MLPAPPSSSA-N. The full InChI is InChI=1S/C14H25NO2/c1-4-6-13(12(3)17-5-2)11-15-14-7-9-16-10-8-14/h4,6,12,14-15H,1,5,7-11H2,2-3H3/b13-6-.
What are the key properties of N-[(2Z)-2-(1-ethoxyethyl)penta-2,4-dienyl]oxan-4-amine?
N-[(2Z)-2-(1-ethoxyethyl)penta-2,4-dienyl]oxan-4-amine has a molecular weight of 239.36 g/mol, XLogP of 2.29, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2Z)-2-(1-ethoxyethyl)penta-2,4-dienyl]oxan-4-amine is sourced from PubChem (CID 146359586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).