2-[(Z)-4-(2,2-dimethylpropoxy)but-2-enoxy]ethanamine

C11H23NO2 — CID 126620093

IUPAC2-[(Z)-4-(2,2-dimethylpropoxy)but-2-enoxy]ethanamine
SMILESCC(C)(C)COC/C=C\COCCN
InChIInChI=1S/C11H23NO2/c1-11(2,3)10-14-8-5-4-7-13-9-6-12/h4-5H,6-10,12H2,1-3H3/b5-4-
InChIKeyIPKJKKKDTRDBPM-PLNGDYQASA-N
MW201.31 g/mol
LogP1.58
Rot. Bonds7

About 2-[(Z)-4-(2,2-dimethylpropoxy)but-2-enoxy]ethanamine

2-[(Z)-4-(2,2-dimethylpropoxy)but-2-enoxy]ethanamine (PubChem CID 126620093) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is 2-[(Z)-4-(2,2-dimethylpropoxy)but-2-enoxy]ethanamine.

Molecular Properties

Compound Name2-[(Z)-4-(2,2-dimethylpropoxy)but-2-enoxy]ethanamine
PubChem CID126620093
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name2-[(Z)-4-(2,2-dimethylpropoxy)but-2-enoxy]ethanamine
SMILESCC(C)(C)COC/C=C\COCCN
InChIInChI=1S/C11H23NO2/c1-11(2,3)10-14-8-5-4-7-13-9-6-12/h4-5H,6-10,12H2,1-3H3/b5-4-
InChIKeyIPKJKKKDTRDBPM-PLNGDYQASA-N
XLogP1.58
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-Crotyloxy ethylamine
CID 72391086
2-(3-Methylbut-2-enoxy)propan-1-amine
CID 58684168
2-(3-Methylbut-2-enoxy)ethanamine
CID 58684322
2-[(E)-but-2-enoxy]ethanamine
CID 58684399
1-(3-Methylbut-2-enoxy)propan-2-amine
CID 58684912
N-ethyl-2-[(E)-4-methoxybut-2-enoxy]ethanamine
CID 88906931
2-[(Z)-but-2-enoxy]ethanamine
CID 117713842
2-[(Z)-4-ethoxybut-2-enoxy]ethanamine
CID 126620187
N-[2-[(Z)-4-(2,2-dimethylpropoxy)but-2-enoxy]ethyl]-2-methylpropan-2-amine
CID 126654288
2-[(Z)-4-ethoxybut-2-enoxy]-N-methylethanamine
CID 134351983
2-[(Z)-4-(2-iodopropoxy)but-2-enoxy]ethanamine
CID 135173607
ethane;2-[(Z)-4-ethoxybut-2-enoxy]-N-methylethanamine;molecular hydrogen;hydroiodide
CID 142327626

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-4-(2,2-dimethylpropoxy)but-2-enoxy]ethanamine?
The IUPAC name of 2-[(Z)-4-(2,2-dimethylpropoxy)but-2-enoxy]ethanamine (CID 126620093) is 2-[(Z)-4-(2,2-dimethylpropoxy)but-2-enoxy]ethanamine.
What is the SMILES notation for 2-[(Z)-4-(2,2-dimethylpropoxy)but-2-enoxy]ethanamine?
The canonical SMILES for 2-[(Z)-4-(2,2-dimethylpropoxy)but-2-enoxy]ethanamine is CC(C)(C)COC/C=C\COCCN.
What is the InChIKey of 2-[(Z)-4-(2,2-dimethylpropoxy)but-2-enoxy]ethanamine?
The InChIKey is IPKJKKKDTRDBPM-PLNGDYQASA-N. The full InChI is InChI=1S/C11H23NO2/c1-11(2,3)10-14-8-5-4-7-13-9-6-12/h4-5H,6-10,12H2,1-3H3/b5-4-.
What are the key properties of 2-[(Z)-4-(2,2-dimethylpropoxy)but-2-enoxy]ethanamine?
2-[(Z)-4-(2,2-dimethylpropoxy)but-2-enoxy]ethanamine has a molecular weight of 201.31 g/mol, XLogP of 1.58, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-4-(2,2-dimethylpropoxy)but-2-enoxy]ethanamine is sourced from PubChem (CID 126620093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).