(E)-4-methoxy-N-[(E)-4-methoxybut-2-enyl]but-2-en-1-amine

C10H19NO2 — CID 57436593

IUPAC(E)-4-methoxy-N-[(E)-4-methoxybut-2-enyl]but-2-en-1-amine
SMILESCOC/C=C/CNC/C=C/COC
InChIInChI=1S/C10H19NO2/c1-12-9-5-3-7-11-8-4-6-10-13-2/h3-6,11H,7-10H2,1-2H3/b5-3+,6-4+
InChIKeyYJTXZCICEZHNNO-GGWOSOGESA-N
MW185.27 g/mol
LogP0.98
Rot. Bonds8

About (E)-4-methoxy-N-[(E)-4-methoxybut-2-enyl]but-2-en-1-amine

(E)-4-methoxy-N-[(E)-4-methoxybut-2-enyl]but-2-en-1-amine (PubChem CID 57436593) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is (E)-4-methoxy-N-[(E)-4-methoxybut-2-enyl]but-2-en-1-amine.

Molecular Properties

Compound Name(E)-4-methoxy-N-[(E)-4-methoxybut-2-enyl]but-2-en-1-amine
PubChem CID57436593
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name(E)-4-methoxy-N-[(E)-4-methoxybut-2-enyl]but-2-en-1-amine
SMILESCOC/C=C/CNC/C=C/COC
InChIInChI=1S/C10H19NO2/c1-12-9-5-3-7-11-8-4-6-10-13-2/h3-6,11H,7-10H2,1-2H3/b5-3+,6-4+
InChIKeyYJTXZCICEZHNNO-GGWOSOGESA-N
XLogP0.98
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.98
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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Frequently Asked Questions

What is the IUPAC name of (E)-4-methoxy-N-[(E)-4-methoxybut-2-enyl]but-2-en-1-amine?
The IUPAC name of (E)-4-methoxy-N-[(E)-4-methoxybut-2-enyl]but-2-en-1-amine (CID 57436593) is (E)-4-methoxy-N-[(E)-4-methoxybut-2-enyl]but-2-en-1-amine.
What is the SMILES notation for (E)-4-methoxy-N-[(E)-4-methoxybut-2-enyl]but-2-en-1-amine?
The canonical SMILES for (E)-4-methoxy-N-[(E)-4-methoxybut-2-enyl]but-2-en-1-amine is COC/C=C/CNC/C=C/COC.
What is the InChIKey of (E)-4-methoxy-N-[(E)-4-methoxybut-2-enyl]but-2-en-1-amine?
The InChIKey is YJTXZCICEZHNNO-GGWOSOGESA-N. The full InChI is InChI=1S/C10H19NO2/c1-12-9-5-3-7-11-8-4-6-10-13-2/h3-6,11H,7-10H2,1-2H3/b5-3+,6-4+.
What are the key properties of (E)-4-methoxy-N-[(E)-4-methoxybut-2-enyl]but-2-en-1-amine?
(E)-4-methoxy-N-[(E)-4-methoxybut-2-enyl]but-2-en-1-amine has a molecular weight of 185.27 g/mol, XLogP of 0.98, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-methoxy-N-[(E)-4-methoxybut-2-enyl]but-2-en-1-amine is sourced from PubChem (CID 57436593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).