2-ethoxy-4-methylpent-1-en-3-amine

C8H17NO — CID 155034073

IUPAC2-ethoxy-4-methylpent-1-en-3-amine
SMILESC=C(OCC)C(N)C(C)C
InChIInChI=1S/C8H17NO/c1-5-10-7(4)8(9)6(2)3/h6,8H,4-5,9H2,1-3H3
InChIKeyZJKNQGKOFDWGIJ-UHFFFAOYSA-N
MW143.23 g/mol
LogP1.52
Rot. Bonds4

About 2-ethoxy-4-methylpent-1-en-3-amine

2-ethoxy-4-methylpent-1-en-3-amine (PubChem CID 155034073) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is 2-ethoxy-4-methylpent-1-en-3-amine.

Molecular Properties

Compound Name2-ethoxy-4-methylpent-1-en-3-amine
PubChem CID155034073
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name2-ethoxy-4-methylpent-1-en-3-amine
SMILESC=C(OCC)C(N)C(C)C
InChIInChI=1S/C8H17NO/c1-5-10-7(4)8(9)6(2)3/h6,8H,4-5,9H2,1-3H3
InChIKeyZJKNQGKOFDWGIJ-UHFFFAOYSA-N
XLogP1.52
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-4-methylpent-1-en-3-amine?
The IUPAC name of 2-ethoxy-4-methylpent-1-en-3-amine (CID 155034073) is 2-ethoxy-4-methylpent-1-en-3-amine.
What is the SMILES notation for 2-ethoxy-4-methylpent-1-en-3-amine?
The canonical SMILES for 2-ethoxy-4-methylpent-1-en-3-amine is C=C(OCC)C(N)C(C)C.
What is the InChIKey of 2-ethoxy-4-methylpent-1-en-3-amine?
The InChIKey is ZJKNQGKOFDWGIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-5-10-7(4)8(9)6(2)3/h6,8H,4-5,9H2,1-3H3.
What are the key properties of 2-ethoxy-4-methylpent-1-en-3-amine?
2-ethoxy-4-methylpent-1-en-3-amine has a molecular weight of 143.23 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-methylpent-1-en-3-amine is sourced from PubChem (CID 155034073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).