5-methoxyhex-5-en-1-amine

C7H15NO — CID 123148331

IUPAC5-methoxyhex-5-en-1-amine
SMILESC=C(CCCCN)OC
InChIInChI=1S/C7H15NO/c1-7(9-2)5-3-4-6-8/h1,3-6,8H2,2H3
InChIKeyFAJOOFXPSBMMEF-UHFFFAOYSA-N
MW129.20 g/mol
LogP1.28
Rot. Bonds5

About 5-methoxyhex-5-en-1-amine

5-methoxyhex-5-en-1-amine (PubChem CID 123148331) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is 5-methoxyhex-5-en-1-amine.

Molecular Properties

Compound Name5-methoxyhex-5-en-1-amine
PubChem CID123148331
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name5-methoxyhex-5-en-1-amine
SMILESC=C(CCCCN)OC
InChIInChI=1S/C7H15NO/c1-7(9-2)5-3-4-6-8/h1,3-6,8H2,2H3
InChIKeyFAJOOFXPSBMMEF-UHFFFAOYSA-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 5-methoxyhex-5-en-1-amine?
The IUPAC name of 5-methoxyhex-5-en-1-amine (CID 123148331) is 5-methoxyhex-5-en-1-amine.
What is the SMILES notation for 5-methoxyhex-5-en-1-amine?
The canonical SMILES for 5-methoxyhex-5-en-1-amine is C=C(CCCCN)OC.
What is the InChIKey of 5-methoxyhex-5-en-1-amine?
The InChIKey is FAJOOFXPSBMMEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO/c1-7(9-2)5-3-4-6-8/h1,3-6,8H2,2H3.
What are the key properties of 5-methoxyhex-5-en-1-amine?
5-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 5-methoxyhex-5-en-1-amine is sourced from PubChem (CID 123148331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).