(1E,3E)-4-methoxy-N-methylbuta-1,3-dien-1-amine

C6H11NO — CID 145491559

IUPAC(1E,3E)-4-methoxy-N-methylbuta-1,3-dien-1-amine
SMILESCN/C=C/C=C/OC
InChIInChI=1S/C6H11NO/c1-7-5-3-4-6-8-2/h3-7H,1-2H3/b5-3+,6-4+
InChIKeyVVIWFQVDYDRPFY-GGWOSOGESA-N
MW113.16 g/mol
LogP0.88
Rot. Bonds3

About (1E,3E)-4-methoxy-N-methylbuta-1,3-dien-1-amine

(1E,3E)-4-methoxy-N-methylbuta-1,3-dien-1-amine (PubChem CID 145491559) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is (1E,3E)-4-methoxy-N-methylbuta-1,3-dien-1-amine.

Molecular Properties

Compound Name(1E,3E)-4-methoxy-N-methylbuta-1,3-dien-1-amine
PubChem CID145491559
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name(1E,3E)-4-methoxy-N-methylbuta-1,3-dien-1-amine
SMILESCN/C=C/C=C/OC
InChIInChI=1S/C6H11NO/c1-7-5-3-4-6-8-2/h3-7H,1-2H3/b5-3+,6-4+
InChIKeyVVIWFQVDYDRPFY-GGWOSOGESA-N
XLogP0.88
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1E,3E)-4-methoxy-N-methylbuta-1,3-dien-1-amine?
The IUPAC name of (1E,3E)-4-methoxy-N-methylbuta-1,3-dien-1-amine (CID 145491559) is (1E,3E)-4-methoxy-N-methylbuta-1,3-dien-1-amine.
What is the SMILES notation for (1E,3E)-4-methoxy-N-methylbuta-1,3-dien-1-amine?
The canonical SMILES for (1E,3E)-4-methoxy-N-methylbuta-1,3-dien-1-amine is CN/C=C/C=C/OC.
What is the InChIKey of (1E,3E)-4-methoxy-N-methylbuta-1,3-dien-1-amine?
The InChIKey is VVIWFQVDYDRPFY-GGWOSOGESA-N. The full InChI is InChI=1S/C6H11NO/c1-7-5-3-4-6-8-2/h3-7H,1-2H3/b5-3+,6-4+.
What are the key properties of (1E,3E)-4-methoxy-N-methylbuta-1,3-dien-1-amine?
(1E,3E)-4-methoxy-N-methylbuta-1,3-dien-1-amine has a molecular weight of 113.16 g/mol, XLogP of 0.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3E)-4-methoxy-N-methylbuta-1,3-dien-1-amine is sourced from PubChem (CID 145491559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).