(3E,5E)-5-methoxyocta-1,3,5-trien-4-amine

C9H15NO — CID 137427546

IUPAC(3E,5E)-5-methoxyocta-1,3,5-trien-4-amine
SMILESC=C/C=C(N)\C(=C/CC)OC
InChIInChI=1S/C9H15NO/c1-4-6-8(10)9(11-3)7-5-2/h4,6-7H,1,5,10H2,2-3H3/b8-6+,9-7+
InChIKeyFDCRZSGOEIDRRW-CDJQDVQCSA-N
MW153.22 g/mol
LogP1.96
Rot. Bonds4

About (3E,5E)-5-methoxyocta-1,3,5-trien-4-amine

(3E,5E)-5-methoxyocta-1,3,5-trien-4-amine (PubChem CID 137427546) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is (3E,5E)-5-methoxyocta-1,3,5-trien-4-amine.

Molecular Properties

Compound Name(3E,5E)-5-methoxyocta-1,3,5-trien-4-amine
PubChem CID137427546
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name(3E,5E)-5-methoxyocta-1,3,5-trien-4-amine
SMILESC=C/C=C(N)\C(=C/CC)OC
InChIInChI=1S/C9H15NO/c1-4-6-8(10)9(11-3)7-5-2/h4,6-7H,1,5,10H2,2-3H3/b8-6+,9-7+
InChIKeyFDCRZSGOEIDRRW-CDJQDVQCSA-N
XLogP1.96
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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 (3E,5E)-5-methoxyocta-1,3,5-trien-4-amine?
The IUPAC name of (3E,5E)-5-methoxyocta-1,3,5-trien-4-amine (CID 137427546) is (3E,5E)-5-methoxyocta-1,3,5-trien-4-amine.
What is the SMILES notation for (3E,5E)-5-methoxyocta-1,3,5-trien-4-amine?
The canonical SMILES for (3E,5E)-5-methoxyocta-1,3,5-trien-4-amine is C=C/C=C(N)\C(=C/CC)OC.
What is the InChIKey of (3E,5E)-5-methoxyocta-1,3,5-trien-4-amine?
The InChIKey is FDCRZSGOEIDRRW-CDJQDVQCSA-N. The full InChI is InChI=1S/C9H15NO/c1-4-6-8(10)9(11-3)7-5-2/h4,6-7H,1,5,10H2,2-3H3/b8-6+,9-7+.
What are the key properties of (3E,5E)-5-methoxyocta-1,3,5-trien-4-amine?
(3E,5E)-5-methoxyocta-1,3,5-trien-4-amine has a molecular weight of 153.22 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5E)-5-methoxyocta-1,3,5-trien-4-amine is sourced from PubChem (CID 137427546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).