2-[(Z)-4-ethoxybut-2-enoxy]ethanamine;molecular hydrogen

C8H19NO2 — CID 145261734

IUPAC2-[(Z)-4-ethoxybut-2-enoxy]ethanamine;molecular hydrogen
SMILESCCOC/C=C\COCCN.[H][H]
InChIInChI=1S/C8H17NO2.H2/c1-2-10-6-3-4-7-11-8-5-9;/h3-4H,2,5-9H2,1H3;1H/b4-3-;
InChIKeyALQBTNLEJAAVIJ-LNKPDPKZSA-N
MW161.25 g/mol
LogP0.80
Rot. Bonds7

About 2-[(Z)-4-ethoxybut-2-enoxy]ethanamine;molecular hydrogen

2-[(Z)-4-ethoxybut-2-enoxy]ethanamine;molecular hydrogen (PubChem CID 145261734) has the molecular formula C8H19NO2 and a molecular weight of 161.25 g/mol. Its IUPAC name is 2-[(Z)-4-ethoxybut-2-enoxy]ethanamine;molecular hydrogen.

Molecular Properties

Compound Name2-[(Z)-4-ethoxybut-2-enoxy]ethanamine;molecular hydrogen
PubChem CID145261734
Molecular FormulaC8H19NO2
Molecular Weight161.25 g/mol
Exact Mass161.14
IUPAC Name2-[(Z)-4-ethoxybut-2-enoxy]ethanamine;molecular hydrogen
SMILESCCOC/C=C\COCCN.[H][H]
InChIInChI=1S/C8H17NO2.H2/c1-2-10-6-3-4-7-11-8-5-9;/h3-4H,2,5-9H2,1H3;1H/b4-3-;
InChIKeyALQBTNLEJAAVIJ-LNKPDPKZSA-N
XLogP0.80
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.25
LogP ≤ 50.80
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-(Prop-2-en-1-yloxy)ethan-1-amine
CID 261273
3-{2-[2-(2-Aminoethoxy)ethoxy]ethoxy}prop-1-ene
CID 86183811
2-Crotyloxy ethylamine
CID 72391086
(9Z)-1,7-dioxa-4-azoniacycloundec-9-ene
CID 22899053
4-Ethoxybut-2-en-1-amine
CID 54355869
(E)-4-ethoxybut-2-en-1-amine
CID 57436605
N-ethyl-2-[(E)-4-propan-2-yloxybut-2-enoxy]ethanamine
CID 58451736
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
2-[(E)-but-2-enoxy]propan-1-amine
CID 58684461
1-[(E)-but-2-enoxy]propan-2-amine
CID 58684482

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-4-ethoxybut-2-enoxy]ethanamine;molecular hydrogen?
The IUPAC name of 2-[(Z)-4-ethoxybut-2-enoxy]ethanamine;molecular hydrogen (CID 145261734) is 2-[(Z)-4-ethoxybut-2-enoxy]ethanamine;molecular hydrogen.
What is the SMILES notation for 2-[(Z)-4-ethoxybut-2-enoxy]ethanamine;molecular hydrogen?
The canonical SMILES for 2-[(Z)-4-ethoxybut-2-enoxy]ethanamine;molecular hydrogen is CCOC/C=C\COCCN.[H][H].
What is the InChIKey of 2-[(Z)-4-ethoxybut-2-enoxy]ethanamine;molecular hydrogen?
The InChIKey is ALQBTNLEJAAVIJ-LNKPDPKZSA-N. The full InChI is InChI=1S/C8H17NO2.H2/c1-2-10-6-3-4-7-11-8-5-9;/h3-4H,2,5-9H2,1H3;1H/b4-3-;.
What are the key properties of 2-[(Z)-4-ethoxybut-2-enoxy]ethanamine;molecular hydrogen?
2-[(Z)-4-ethoxybut-2-enoxy]ethanamine;molecular hydrogen has a molecular weight of 161.25 g/mol, XLogP of 0.80, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-4-ethoxybut-2-enoxy]ethanamine;molecular hydrogen is sourced from PubChem (CID 145261734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).