2-methoxyhex-5-en-3-amine

C7H15NO — CID 79610193

IUPAC2-methoxyhex-5-en-3-amine
SMILESC=CCC(N)C(C)OC
InChIInChI=1S/C7H15NO/c1-4-5-7(8)6(2)9-3/h4,6-7H,1,5,8H2,2-3H3
InChIKeyBICGTJWRUHOWLY-UHFFFAOYSA-N
MW129.20 g/mol
LogP0.92
Rot. Bonds4

About 2-methoxyhex-5-en-3-amine

2-methoxyhex-5-en-3-amine (PubChem CID 79610193) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is 2-methoxyhex-5-en-3-amine.

Molecular Properties

Compound Name2-methoxyhex-5-en-3-amine
PubChem CID79610193
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name2-methoxyhex-5-en-3-amine
SMILESC=CCC(N)C(C)OC
InChIInChI=1S/C7H15NO/c1-4-5-7(8)6(2)9-3/h4,6-7H,1,5,8H2,2-3H3
InChIKeyBICGTJWRUHOWLY-UHFFFAOYSA-N
XLogP0.92
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methoxyhex-5-en-3-amine?
The IUPAC name of 2-methoxyhex-5-en-3-amine (CID 79610193) is 2-methoxyhex-5-en-3-amine.
What is the SMILES notation for 2-methoxyhex-5-en-3-amine?
The canonical SMILES for 2-methoxyhex-5-en-3-amine is C=CCC(N)C(C)OC.
What is the InChIKey of 2-methoxyhex-5-en-3-amine?
The InChIKey is BICGTJWRUHOWLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO/c1-4-5-7(8)6(2)9-3/h4,6-7H,1,5,8H2,2-3H3.
What are the key properties of 2-methoxyhex-5-en-3-amine?
2-methoxyhex-5-en-3-amine has a molecular weight of 129.20 g/mol, XLogP of 0.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyhex-5-en-3-amine is sourced from PubChem (CID 79610193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).