(2E,4E,6Z)-4-methoxyocta-2,4,6-trien-2-amine

C9H15NO — CID 129115465

IUPAC(2E,4E,6Z)-4-methoxyocta-2,4,6-trien-2-amine
SMILESC/C=C\C=C(/C=C(\C)N)OC
InChIInChI=1S/C9H15NO/c1-4-5-6-9(11-3)7-8(2)10/h4-7H,10H2,1-3H3/b5-4-,8-7+,9-6+
InChIKeyKLZZRCLAVUSDCI-HPRYQFLYSA-N
MW153.22 g/mol
LogP1.96
Rot. Bonds3

About (2E,4E,6Z)-4-methoxyocta-2,4,6-trien-2-amine

(2E,4E,6Z)-4-methoxyocta-2,4,6-trien-2-amine (PubChem CID 129115465) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is (2E,4E,6Z)-4-methoxyocta-2,4,6-trien-2-amine.

Molecular Properties

Compound Name(2E,4E,6Z)-4-methoxyocta-2,4,6-trien-2-amine
PubChem CID129115465
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name(2E,4E,6Z)-4-methoxyocta-2,4,6-trien-2-amine
SMILESC/C=C\C=C(/C=C(\C)N)OC
InChIInChI=1S/C9H15NO/c1-4-5-6-9(11-3)7-8(2)10/h4-7H,10H2,1-3H3/b5-4-,8-7+,9-6+
InChIKeyKLZZRCLAVUSDCI-HPRYQFLYSA-N
XLogP1.96
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.96
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,6Z)-4-methoxyocta-2,4,6-trien-2-amine?
The IUPAC name of (2E,4E,6Z)-4-methoxyocta-2,4,6-trien-2-amine (CID 129115465) is (2E,4E,6Z)-4-methoxyocta-2,4,6-trien-2-amine.
What is the SMILES notation for (2E,4E,6Z)-4-methoxyocta-2,4,6-trien-2-amine?
The canonical SMILES for (2E,4E,6Z)-4-methoxyocta-2,4,6-trien-2-amine is C/C=C\C=C(/C=C(\C)N)OC.
What is the InChIKey of (2E,4E,6Z)-4-methoxyocta-2,4,6-trien-2-amine?
The InChIKey is KLZZRCLAVUSDCI-HPRYQFLYSA-N. The full InChI is InChI=1S/C9H15NO/c1-4-5-6-9(11-3)7-8(2)10/h4-7H,10H2,1-3H3/b5-4-,8-7+,9-6+.
What are the key properties of (2E,4E,6Z)-4-methoxyocta-2,4,6-trien-2-amine?
(2E,4E,6Z)-4-methoxyocta-2,4,6-trien-2-amine has a molecular weight of 153.22 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E,6Z)-4-methoxyocta-2,4,6-trien-2-amine is sourced from PubChem (CID 129115465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).