(2E,4Z)-7-methoxyocta-2,4-dien-2-amine

C9H17NO — CID 138500854

IUPAC(2E,4Z)-7-methoxyocta-2,4-dien-2-amine
SMILESCOC(C)C/C=C\C=C(/C)N
InChIInChI=1S/C9H17NO/c1-8(10)6-4-5-7-9(2)11-3/h4-6,9H,7,10H2,1-3H3/b5-4-,8-6+
InChIKeyVNCJLMUVXPZWEC-GSGSLZOQSA-N
MW155.24 g/mol
LogP1.83
Rot. Bonds4

About (2E,4Z)-7-methoxyocta-2,4-dien-2-amine

(2E,4Z)-7-methoxyocta-2,4-dien-2-amine (PubChem CID 138500854) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is (2E,4Z)-7-methoxyocta-2,4-dien-2-amine.

Molecular Properties

Compound Name(2E,4Z)-7-methoxyocta-2,4-dien-2-amine
PubChem CID138500854
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name(2E,4Z)-7-methoxyocta-2,4-dien-2-amine
SMILESCOC(C)C/C=C\C=C(/C)N
InChIInChI=1S/C9H17NO/c1-8(10)6-4-5-7-9(2)11-3/h4-6,9H,7,10H2,1-3H3/b5-4-,8-6+
InChIKeyVNCJLMUVXPZWEC-GSGSLZOQSA-N
XLogP1.83
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-7-methoxyocta-2,4-dien-2-amine?
The IUPAC name of (2E,4Z)-7-methoxyocta-2,4-dien-2-amine (CID 138500854) is (2E,4Z)-7-methoxyocta-2,4-dien-2-amine.
What is the SMILES notation for (2E,4Z)-7-methoxyocta-2,4-dien-2-amine?
The canonical SMILES for (2E,4Z)-7-methoxyocta-2,4-dien-2-amine is COC(C)C/C=C\C=C(/C)N.
What is the InChIKey of (2E,4Z)-7-methoxyocta-2,4-dien-2-amine?
The InChIKey is VNCJLMUVXPZWEC-GSGSLZOQSA-N. The full InChI is InChI=1S/C9H17NO/c1-8(10)6-4-5-7-9(2)11-3/h4-6,9H,7,10H2,1-3H3/b5-4-,8-6+.
What are the key properties of (2E,4Z)-7-methoxyocta-2,4-dien-2-amine?
(2E,4Z)-7-methoxyocta-2,4-dien-2-amine has a molecular weight of 155.24 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-7-methoxyocta-2,4-dien-2-amine is sourced from PubChem (CID 138500854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).