2-[(E)-but-2-enoxy]ethanamine

C6H13NO — CID 58684399

IUPAC2-[(E)-but-2-enoxy]ethanamine
SMILESC/C=C/COCCN
InChIInChI=1S/C6H13NO/c1-2-3-5-8-6-4-7/h2-3H,4-7H2,1H3/b3-2+
InChIKeyYYKJMGQPHCTBGG-NSCUHMNNSA-N
MW115.18 g/mol
LogP0.54
Rot. Bonds4

About 2-[(E)-but-2-enoxy]ethanamine

2-[(E)-but-2-enoxy]ethanamine (PubChem CID 58684399) has the molecular formula C6H13NO and a molecular weight of 115.18 g/mol. Its IUPAC name is 2-[(E)-but-2-enoxy]ethanamine.

Molecular Properties

Compound Name2-[(E)-but-2-enoxy]ethanamine
PubChem CID58684399
Molecular FormulaC6H13NO
Molecular Weight115.18 g/mol
Exact Mass115.10
IUPAC Name2-[(E)-but-2-enoxy]ethanamine
SMILESC/C=C/COCCN
InChIInChI=1S/C6H13NO/c1-2-3-5-8-6-4-7/h2-3H,4-7H2,1H3/b3-2+
InChIKeyYYKJMGQPHCTBGG-NSCUHMNNSA-N
XLogP0.54
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.18
LogP ≤ 50.54
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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Related Compounds

1,6-bis(but-2-enoxy)hexane
CID 173425920
1-but-2-enoxybutane
CID 543904
3-[(E)-but-2-enoxy]propanamide
CID 62276924
1-[(E)-but-2-enoxy]-3,3-dimethylbutane
CID 165165708
1-[(E)-but-2-enoxy]hexadecane
CID 88726636
3-[(Z)-but-2-enoxy]propanoic acid
CID 10351812
1-but-2-enoxyoctadecane
CID 123608986
5-[(E)-but-2-enoxy]pent-1-ene
CID 173358116
N-(2-but-2-enoxyethyl)propan-1-amine
CID 76940105
(E)-1-[(E)-but-2-enoxy]but-2-ene;ethane-1,2-diol
CID 87839442
4-but-2-enoxy-N-methylbutan-1-amine
CID 76943501
1-[(E)-but-2-enoxy]pentan-3-one
CID 166515002

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-but-2-enoxy]ethanamine?
The IUPAC name of 2-[(E)-but-2-enoxy]ethanamine (CID 58684399) is 2-[(E)-but-2-enoxy]ethanamine.
What is the SMILES notation for 2-[(E)-but-2-enoxy]ethanamine?
The canonical SMILES for 2-[(E)-but-2-enoxy]ethanamine is C/C=C/COCCN.
What is the InChIKey of 2-[(E)-but-2-enoxy]ethanamine?
The InChIKey is YYKJMGQPHCTBGG-NSCUHMNNSA-N. The full InChI is InChI=1S/C6H13NO/c1-2-3-5-8-6-4-7/h2-3H,4-7H2,1H3/b3-2+.
What are the key properties of 2-[(E)-but-2-enoxy]ethanamine?
2-[(E)-but-2-enoxy]ethanamine has a molecular weight of 115.18 g/mol, XLogP of 0.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-but-2-enoxy]ethanamine is sourced from PubChem (CID 58684399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).