4-methoxy-3-methylpent-2-en-1-amine

C7H15NO — CID 104865208

IUPAC4-methoxy-3-methylpent-2-en-1-amine
SMILESCOC(C)C(C)=CCN
InChIInChI=1S/C7H15NO/c1-6(4-5-8)7(2)9-3/h4,7H,5,8H2,1-3H3
InChIKeyUXBSJCUQVPBPPY-UHFFFAOYSA-N
MW129.20 g/mol
LogP0.93
Rot. Bonds3

About 4-methoxy-3-methylpent-2-en-1-amine

4-methoxy-3-methylpent-2-en-1-amine (PubChem CID 104865208) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is 4-methoxy-3-methylpent-2-en-1-amine.

Molecular Properties

Compound Name4-methoxy-3-methylpent-2-en-1-amine
PubChem CID104865208
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name4-methoxy-3-methylpent-2-en-1-amine
SMILESCOC(C)C(C)=CCN
InChIInChI=1S/C7H15NO/c1-6(4-5-8)7(2)9-3/h4,7H,5,8H2,1-3H3
InChIKeyUXBSJCUQVPBPPY-UHFFFAOYSA-N
XLogP0.93
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 ≤ 50.93
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 4-methoxy-3-methylpent-2-en-1-amine?
The IUPAC name of 4-methoxy-3-methylpent-2-en-1-amine (CID 104865208) is 4-methoxy-3-methylpent-2-en-1-amine.
What is the SMILES notation for 4-methoxy-3-methylpent-2-en-1-amine?
The canonical SMILES for 4-methoxy-3-methylpent-2-en-1-amine is COC(C)C(C)=CCN.
What is the InChIKey of 4-methoxy-3-methylpent-2-en-1-amine?
The InChIKey is UXBSJCUQVPBPPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO/c1-6(4-5-8)7(2)9-3/h4,7H,5,8H2,1-3H3.
What are the key properties of 4-methoxy-3-methylpent-2-en-1-amine?
4-methoxy-3-methylpent-2-en-1-amine has a molecular weight of 129.20 g/mol, XLogP of 0.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-methylpent-2-en-1-amine is sourced from PubChem (CID 104865208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).