2-[(E)-2,4,4-trimethylpent-2-enoxy]ethanamine

C10H21NO — CID 173477340

IUPAC2-[(E)-2,4,4-trimethylpent-2-enoxy]ethanamine
SMILESC/C(=C\C(C)(C)C)COCCN
InChIInChI=1S/C10H21NO/c1-9(7-10(2,3)4)8-12-6-5-11/h7H,5-6,8,11H2,1-4H3/b9-7+
InChIKeyKRHRJYBTDYZGGV-VQHVLOKHSA-N
MW171.28 g/mol
LogP1.95
Rot. Bonds4

About 2-[(E)-2,4,4-trimethylpent-2-enoxy]ethanamine

2-[(E)-2,4,4-trimethylpent-2-enoxy]ethanamine (PubChem CID 173477340) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 2-[(E)-2,4,4-trimethylpent-2-enoxy]ethanamine.

Molecular Properties

Compound Name2-[(E)-2,4,4-trimethylpent-2-enoxy]ethanamine
PubChem CID173477340
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name2-[(E)-2,4,4-trimethylpent-2-enoxy]ethanamine
SMILESC/C(=C\C(C)(C)C)COCCN
InChIInChI=1S/C10H21NO/c1-9(7-10(2,3)4)8-12-6-5-11/h7H,5-6,8,11H2,1-4H3/b9-7+
InChIKeyKRHRJYBTDYZGGV-VQHVLOKHSA-N
XLogP1.95
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.95
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'}

Analyze 2-[(E)-2,4,4-trimethylpent-2-enoxy]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2,4,4-trimethylpent-2-enoxy]ethanamine?
The IUPAC name of 2-[(E)-2,4,4-trimethylpent-2-enoxy]ethanamine (CID 173477340) is 2-[(E)-2,4,4-trimethylpent-2-enoxy]ethanamine.
What is the SMILES notation for 2-[(E)-2,4,4-trimethylpent-2-enoxy]ethanamine?
The canonical SMILES for 2-[(E)-2,4,4-trimethylpent-2-enoxy]ethanamine is C/C(=C\C(C)(C)C)COCCN.
What is the InChIKey of 2-[(E)-2,4,4-trimethylpent-2-enoxy]ethanamine?
The InChIKey is KRHRJYBTDYZGGV-VQHVLOKHSA-N. The full InChI is InChI=1S/C10H21NO/c1-9(7-10(2,3)4)8-12-6-5-11/h7H,5-6,8,11H2,1-4H3/b9-7+.
What are the key properties of 2-[(E)-2,4,4-trimethylpent-2-enoxy]ethanamine?
2-[(E)-2,4,4-trimethylpent-2-enoxy]ethanamine has a molecular weight of 171.28 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2,4,4-trimethylpent-2-enoxy]ethanamine is sourced from PubChem (CID 173477340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).