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

C7H15NO — CID 79177934

IUPAC1-methoxy-4-methylpent-3-en-2-amine
SMILESCOCC(N)C=C(C)C
InChIInChI=1S/C7H15NO/c1-6(2)4-7(8)5-9-3/h4,7H,5,8H2,1-3H3
InChIKeyBOTRINLNCTVAFK-UHFFFAOYSA-N
MW129.20 g/mol
LogP0.93
Rot. Bonds3

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

1-methoxy-4-methylpent-3-en-2-amine (PubChem CID 79177934) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is 1-methoxy-4-methylpent-3-en-2-amine.

Molecular Properties

Compound Name1-methoxy-4-methylpent-3-en-2-amine
PubChem CID79177934
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name1-methoxy-4-methylpent-3-en-2-amine
SMILESCOCC(N)C=C(C)C
InChIInChI=1S/C7H15NO/c1-6(2)4-7(8)5-9-3/h4,7H,5,8H2,1-3H3
InChIKeyBOTRINLNCTVAFK-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 1-methoxy-4-methylpent-3-en-2-amine?
The IUPAC name of 1-methoxy-4-methylpent-3-en-2-amine (CID 79177934) is 1-methoxy-4-methylpent-3-en-2-amine.
What is the SMILES notation for 1-methoxy-4-methylpent-3-en-2-amine?
The canonical SMILES for 1-methoxy-4-methylpent-3-en-2-amine is COCC(N)C=C(C)C.
What is the InChIKey of 1-methoxy-4-methylpent-3-en-2-amine?
The InChIKey is BOTRINLNCTVAFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO/c1-6(2)4-7(8)5-9-3/h4,7H,5,8H2,1-3H3.
What are the key properties of 1-methoxy-4-methylpent-3-en-2-amine?
1-methoxy-4-methylpent-3-en-2-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 1-methoxy-4-methylpent-3-en-2-amine is sourced from PubChem (CID 79177934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).