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

C9H17NO — CID 59007331

IUPAC(E)-N-[(E)-but-2-enyl]-4-methoxybut-2-en-1-amine
SMILESC/C=C/CNC/C=C/COC
InChIInChI=1S/C9H17NO/c1-3-4-7-10-8-5-6-9-11-2/h3-6,10H,7-9H2,1-2H3/b4-3+,6-5+
InChIKeyDGENJTJTMZWDJJ-VNKDHWASSA-N
MW155.24 g/mol
LogP1.35
Rot. Bonds6

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

(E)-N-[(E)-but-2-enyl]-4-methoxybut-2-en-1-amine (PubChem CID 59007331) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is (E)-N-[(E)-but-2-enyl]-4-methoxybut-2-en-1-amine.

Molecular Properties

Compound Name(E)-N-[(E)-but-2-enyl]-4-methoxybut-2-en-1-amine
PubChem CID59007331
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name(E)-N-[(E)-but-2-enyl]-4-methoxybut-2-en-1-amine
SMILESC/C=C/CNC/C=C/COC
InChIInChI=1S/C9H17NO/c1-3-4-7-10-8-5-6-9-11-2/h3-6,10H,7-9H2,1-2H3/b4-3+,6-5+
InChIKeyDGENJTJTMZWDJJ-VNKDHWASSA-N
XLogP1.35
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.35
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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Frequently Asked Questions

What is the IUPAC name of (E)-N-[(E)-but-2-enyl]-4-methoxybut-2-en-1-amine?
The IUPAC name of (E)-N-[(E)-but-2-enyl]-4-methoxybut-2-en-1-amine (CID 59007331) is (E)-N-[(E)-but-2-enyl]-4-methoxybut-2-en-1-amine.
What is the SMILES notation for (E)-N-[(E)-but-2-enyl]-4-methoxybut-2-en-1-amine?
The canonical SMILES for (E)-N-[(E)-but-2-enyl]-4-methoxybut-2-en-1-amine is C/C=C/CNC/C=C/COC.
What is the InChIKey of (E)-N-[(E)-but-2-enyl]-4-methoxybut-2-en-1-amine?
The InChIKey is DGENJTJTMZWDJJ-VNKDHWASSA-N. The full InChI is InChI=1S/C9H17NO/c1-3-4-7-10-8-5-6-9-11-2/h3-6,10H,7-9H2,1-2H3/b4-3+,6-5+.
What are the key properties of (E)-N-[(E)-but-2-enyl]-4-methoxybut-2-en-1-amine?
(E)-N-[(E)-but-2-enyl]-4-methoxybut-2-en-1-amine has a molecular weight of 155.24 g/mol, XLogP of 1.35, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(E)-but-2-enyl]-4-methoxybut-2-en-1-amine is sourced from PubChem (CID 59007331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).