2-ethoxy-N-(1-ethoxyethenyl)-4-methylpent-1-en-3-amine

C12H23NO2 — CID 167149752

IUPAC2-ethoxy-N-(1-ethoxyethenyl)-4-methylpent-1-en-3-amine
SMILESC=C(NC(C(=C)OCC)C(C)C)OCC
InChIInChI=1S/C12H23NO2/c1-7-14-10(5)12(9(3)4)13-11(6)15-8-2/h9,12-13H,5-8H2,1-4H3
InChIKeyZOBVFWYWUIFAOZ-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.66
Rot. Bonds8

About 2-ethoxy-N-(1-ethoxyethenyl)-4-methylpent-1-en-3-amine

2-ethoxy-N-(1-ethoxyethenyl)-4-methylpent-1-en-3-amine (PubChem CID 167149752) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 2-ethoxy-N-(1-ethoxyethenyl)-4-methylpent-1-en-3-amine.

Molecular Properties

Compound Name2-ethoxy-N-(1-ethoxyethenyl)-4-methylpent-1-en-3-amine
PubChem CID167149752
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name2-ethoxy-N-(1-ethoxyethenyl)-4-methylpent-1-en-3-amine
SMILESC=C(NC(C(=C)OCC)C(C)C)OCC
InChIInChI=1S/C12H23NO2/c1-7-14-10(5)12(9(3)4)13-11(6)15-8-2/h9,12-13H,5-8H2,1-4H3
InChIKeyZOBVFWYWUIFAOZ-UHFFFAOYSA-N
XLogP2.66
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-(1-ethoxyethenyl)-4-methylpent-1-en-3-amine?
The IUPAC name of 2-ethoxy-N-(1-ethoxyethenyl)-4-methylpent-1-en-3-amine (CID 167149752) is 2-ethoxy-N-(1-ethoxyethenyl)-4-methylpent-1-en-3-amine.
What is the SMILES notation for 2-ethoxy-N-(1-ethoxyethenyl)-4-methylpent-1-en-3-amine?
The canonical SMILES for 2-ethoxy-N-(1-ethoxyethenyl)-4-methylpent-1-en-3-amine is C=C(NC(C(=C)OCC)C(C)C)OCC.
What is the InChIKey of 2-ethoxy-N-(1-ethoxyethenyl)-4-methylpent-1-en-3-amine?
The InChIKey is ZOBVFWYWUIFAOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-7-14-10(5)12(9(3)4)13-11(6)15-8-2/h9,12-13H,5-8H2,1-4H3.
What are the key properties of 2-ethoxy-N-(1-ethoxyethenyl)-4-methylpent-1-en-3-amine?
2-ethoxy-N-(1-ethoxyethenyl)-4-methylpent-1-en-3-amine has a molecular weight of 213.32 g/mol, XLogP of 2.66, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-(1-ethoxyethenyl)-4-methylpent-1-en-3-amine is sourced from PubChem (CID 167149752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).