(2E,4E)-5-methoxy-3-methylhexa-2,4-dien-2-amine

C8H15NO — CID 166762660

IUPAC(2E,4E)-5-methoxy-3-methylhexa-2,4-dien-2-amine
SMILESCO/C(C)=C/C(C)=C(\C)N
InChIInChI=1S/C8H15NO/c1-6(8(3)9)5-7(2)10-4/h5H,9H2,1-4H3/b7-5+,8-6+
InChIKeyVGWVWXRQTMAQEK-KQQUZDAGSA-N
MW141.21 g/mol
LogP1.79
Rot. Bonds2

About (2E,4E)-5-methoxy-3-methylhexa-2,4-dien-2-amine

(2E,4E)-5-methoxy-3-methylhexa-2,4-dien-2-amine (PubChem CID 166762660) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is (2E,4E)-5-methoxy-3-methylhexa-2,4-dien-2-amine.

Molecular Properties

Compound Name(2E,4E)-5-methoxy-3-methylhexa-2,4-dien-2-amine
PubChem CID166762660
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name(2E,4E)-5-methoxy-3-methylhexa-2,4-dien-2-amine
SMILESCO/C(C)=C/C(C)=C(\C)N
InChIInChI=1S/C8H15NO/c1-6(8(3)9)5-7(2)10-4/h5H,9H2,1-4H3/b7-5+,8-6+
InChIKeyVGWVWXRQTMAQEK-KQQUZDAGSA-N
XLogP1.79
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E,4E)-5-methoxy-3-methylhexa-2,4-dien-2-amine?
The IUPAC name of (2E,4E)-5-methoxy-3-methylhexa-2,4-dien-2-amine (CID 166762660) is (2E,4E)-5-methoxy-3-methylhexa-2,4-dien-2-amine.
What is the SMILES notation for (2E,4E)-5-methoxy-3-methylhexa-2,4-dien-2-amine?
The canonical SMILES for (2E,4E)-5-methoxy-3-methylhexa-2,4-dien-2-amine is CO/C(C)=C/C(C)=C(\C)N.
What is the InChIKey of (2E,4E)-5-methoxy-3-methylhexa-2,4-dien-2-amine?
The InChIKey is VGWVWXRQTMAQEK-KQQUZDAGSA-N. The full InChI is InChI=1S/C8H15NO/c1-6(8(3)9)5-7(2)10-4/h5H,9H2,1-4H3/b7-5+,8-6+.
What are the key properties of (2E,4E)-5-methoxy-3-methylhexa-2,4-dien-2-amine?
(2E,4E)-5-methoxy-3-methylhexa-2,4-dien-2-amine has a molecular weight of 141.21 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-5-methoxy-3-methylhexa-2,4-dien-2-amine is sourced from PubChem (CID 166762660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).