N-[(E)-4-ethoxy-2-methylidenepent-3-enyl]-1-ethylpiperidin-4-amine

C15H28N2O — CID 143376028

IUPACN-[(E)-4-ethoxy-2-methylidenepent-3-enyl]-1-ethylpiperidin-4-amine
SMILESC=C(/C=C(\C)OCC)CNC1CCN(CC)CC1
InChIInChI=1S/C15H28N2O/c1-5-17-9-7-15(8-10-17)16-12-13(3)11-14(4)18-6-2/h11,15-16H,3,5-10,12H2,1-2,4H3/b14-11+
InChIKeyIIOZUAOGSKGMDV-SDNWHVSQSA-N
MW252.40 g/mol
LogP2.56
Rot. Bonds7

About N-[(E)-4-ethoxy-2-methylidenepent-3-enyl]-1-ethylpiperidin-4-amine

N-[(E)-4-ethoxy-2-methylidenepent-3-enyl]-1-ethylpiperidin-4-amine (PubChem CID 143376028) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is N-[(E)-4-ethoxy-2-methylidenepent-3-enyl]-1-ethylpiperidin-4-amine.

Molecular Properties

Compound NameN-[(E)-4-ethoxy-2-methylidenepent-3-enyl]-1-ethylpiperidin-4-amine
PubChem CID143376028
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC NameN-[(E)-4-ethoxy-2-methylidenepent-3-enyl]-1-ethylpiperidin-4-amine
SMILESC=C(/C=C(\C)OCC)CNC1CCN(CC)CC1
InChIInChI=1S/C15H28N2O/c1-5-17-9-7-15(8-10-17)16-12-13(3)11-14(4)18-6-2/h11,15-16H,3,5-10,12H2,1-2,4H3/b14-11+
InChIKeyIIOZUAOGSKGMDV-SDNWHVSQSA-N
XLogP2.56
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-4-ethoxy-2-methylidenepent-3-enyl]-1-ethylpiperidin-4-amine?
The IUPAC name of N-[(E)-4-ethoxy-2-methylidenepent-3-enyl]-1-ethylpiperidin-4-amine (CID 143376028) is N-[(E)-4-ethoxy-2-methylidenepent-3-enyl]-1-ethylpiperidin-4-amine.
What is the SMILES notation for N-[(E)-4-ethoxy-2-methylidenepent-3-enyl]-1-ethylpiperidin-4-amine?
The canonical SMILES for N-[(E)-4-ethoxy-2-methylidenepent-3-enyl]-1-ethylpiperidin-4-amine is C=C(/C=C(\C)OCC)CNC1CCN(CC)CC1.
What is the InChIKey of N-[(E)-4-ethoxy-2-methylidenepent-3-enyl]-1-ethylpiperidin-4-amine?
The InChIKey is IIOZUAOGSKGMDV-SDNWHVSQSA-N. The full InChI is InChI=1S/C15H28N2O/c1-5-17-9-7-15(8-10-17)16-12-13(3)11-14(4)18-6-2/h11,15-16H,3,5-10,12H2,1-2,4H3/b14-11+.
What are the key properties of N-[(E)-4-ethoxy-2-methylidenepent-3-enyl]-1-ethylpiperidin-4-amine?
N-[(E)-4-ethoxy-2-methylidenepent-3-enyl]-1-ethylpiperidin-4-amine has a molecular weight of 252.40 g/mol, XLogP of 2.56, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-4-ethoxy-2-methylidenepent-3-enyl]-1-ethylpiperidin-4-amine is sourced from PubChem (CID 143376028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).