2-methoxy-4-methylpent-2-en-1-amine

C7H15NO — CID 54437080

IUPAC2-methoxy-4-methylpent-2-en-1-amine
SMILESCOC(=CC(C)C)CN
InChIInChI=1S/C7H15NO/c1-6(2)4-7(5-8)9-3/h4,6H,5,8H2,1-3H3
InChIKeyWLMOGMHFPZGLAP-UHFFFAOYSA-N
MW129.20 g/mol
LogP1.13
Rot. Bonds3

About 2-methoxy-4-methylpent-2-en-1-amine

2-methoxy-4-methylpent-2-en-1-amine (PubChem CID 54437080) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is 2-methoxy-4-methylpent-2-en-1-amine.

Molecular Properties

Compound Name2-methoxy-4-methylpent-2-en-1-amine
PubChem CID54437080
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name2-methoxy-4-methylpent-2-en-1-amine
SMILESCOC(=CC(C)C)CN
InChIInChI=1S/C7H15NO/c1-6(2)4-7(5-8)9-3/h4,6H,5,8H2,1-3H3
InChIKeyWLMOGMHFPZGLAP-UHFFFAOYSA-N
XLogP1.13
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-methylpent-2-en-1-amine?
The IUPAC name of 2-methoxy-4-methylpent-2-en-1-amine (CID 54437080) is 2-methoxy-4-methylpent-2-en-1-amine.
What is the SMILES notation for 2-methoxy-4-methylpent-2-en-1-amine?
The canonical SMILES for 2-methoxy-4-methylpent-2-en-1-amine is COC(=CC(C)C)CN.
What is the InChIKey of 2-methoxy-4-methylpent-2-en-1-amine?
The InChIKey is WLMOGMHFPZGLAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO/c1-6(2)4-7(5-8)9-3/h4,6H,5,8H2,1-3H3.
What are the key properties of 2-methoxy-4-methylpent-2-en-1-amine?
2-methoxy-4-methylpent-2-en-1-amine has a molecular weight of 129.20 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-methylpent-2-en-1-amine is sourced from PubChem (CID 54437080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).