(E)-6-methoxyhex-5-en-1-amine

C7H15NO — CID 89064365

IUPAC(E)-6-methoxyhex-5-en-1-amine
SMILESCO/C=C/CCCCN
InChIInChI=1S/C7H15NO/c1-9-7-5-3-2-4-6-8/h5,7H,2-4,6,8H2,1H3/b7-5+
InChIKeyYUFSGEFXFPYQDW-FNORWQNLSA-N
MW129.20 g/mol
LogP1.28
Rot. Bonds5

About (E)-6-methoxyhex-5-en-1-amine

(E)-6-methoxyhex-5-en-1-amine (PubChem CID 89064365) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is (E)-6-methoxyhex-5-en-1-amine.

Molecular Properties

Compound Name(E)-6-methoxyhex-5-en-1-amine
PubChem CID89064365
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name(E)-6-methoxyhex-5-en-1-amine
SMILESCO/C=C/CCCCN
InChIInChI=1S/C7H15NO/c1-9-7-5-3-2-4-6-8/h5,7H,2-4,6,8H2,1H3/b7-5+
InChIKeyYUFSGEFXFPYQDW-FNORWQNLSA-N
XLogP1.28
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-6-methoxyhex-5-en-1-amine?
The IUPAC name of (E)-6-methoxyhex-5-en-1-amine (CID 89064365) is (E)-6-methoxyhex-5-en-1-amine.
What is the SMILES notation for (E)-6-methoxyhex-5-en-1-amine?
The canonical SMILES for (E)-6-methoxyhex-5-en-1-amine is CO/C=C/CCCCN.
What is the InChIKey of (E)-6-methoxyhex-5-en-1-amine?
The InChIKey is YUFSGEFXFPYQDW-FNORWQNLSA-N. The full InChI is InChI=1S/C7H15NO/c1-9-7-5-3-2-4-6-8/h5,7H,2-4,6,8H2,1H3/b7-5+.
What are the key properties of (E)-6-methoxyhex-5-en-1-amine?
(E)-6-methoxyhex-5-en-1-amine has a molecular weight of 129.20 g/mol, XLogP of 1.28, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-6-methoxyhex-5-en-1-amine is sourced from PubChem (CID 89064365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).