2-(2,4-dimethylpent-3-enoxy)ethanamine

C9H19NO — CID 89210075

IUPAC2-(2,4-dimethylpent-3-enoxy)ethanamine
SMILESCC(C)=CC(C)COCCN
InChIInChI=1S/C9H19NO/c1-8(2)6-9(3)7-11-5-4-10/h6,9H,4-5,7,10H2,1-3H3
InChIKeyCQOBROLUZPJFEM-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.56
Rot. Bonds5

About 2-(2,4-dimethylpent-3-enoxy)ethanamine

2-(2,4-dimethylpent-3-enoxy)ethanamine (PubChem CID 89210075) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 2-(2,4-dimethylpent-3-enoxy)ethanamine.

Molecular Properties

Compound Name2-(2,4-dimethylpent-3-enoxy)ethanamine
PubChem CID89210075
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name2-(2,4-dimethylpent-3-enoxy)ethanamine
SMILESCC(C)=CC(C)COCCN
InChIInChI=1S/C9H19NO/c1-8(2)6-9(3)7-11-5-4-10/h6,9H,4-5,7,10H2,1-3H3
InChIKeyCQOBROLUZPJFEM-UHFFFAOYSA-N
XLogP1.56
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylpent-3-enoxy)ethanamine?
The IUPAC name of 2-(2,4-dimethylpent-3-enoxy)ethanamine (CID 89210075) is 2-(2,4-dimethylpent-3-enoxy)ethanamine.
What is the SMILES notation for 2-(2,4-dimethylpent-3-enoxy)ethanamine?
The canonical SMILES for 2-(2,4-dimethylpent-3-enoxy)ethanamine is CC(C)=CC(C)COCCN.
What is the InChIKey of 2-(2,4-dimethylpent-3-enoxy)ethanamine?
The InChIKey is CQOBROLUZPJFEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-8(2)6-9(3)7-11-5-4-10/h6,9H,4-5,7,10H2,1-3H3.
What are the key properties of 2-(2,4-dimethylpent-3-enoxy)ethanamine?
2-(2,4-dimethylpent-3-enoxy)ethanamine has a molecular weight of 157.26 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylpent-3-enoxy)ethanamine is sourced from PubChem (CID 89210075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).