(1E,3E)-1-methoxyhexa-1,3,5-triene-1,3,5-triamine

C7H13N3O — CID 89010016

IUPAC(1E,3E)-1-methoxyhexa-1,3,5-triene-1,3,5-triamine
SMILESC=C(N)/C=C(N)\C=C(/N)OC
InChIInChI=1S/C7H13N3O/c1-5(8)3-6(9)4-7(10)11-2/h3-4H,1,8-10H2,2H3/b6-3+,7-4+
InChIKeyIZQWOUGTXDNNFB-XOKGJFMYSA-N
MW155.20 g/mol
LogP-0.25
Rot. Bonds3

About (1E,3E)-1-methoxyhexa-1,3,5-triene-1,3,5-triamine

(1E,3E)-1-methoxyhexa-1,3,5-triene-1,3,5-triamine (PubChem CID 89010016) has the molecular formula C7H13N3O and a molecular weight of 155.20 g/mol. Its IUPAC name is (1E,3E)-1-methoxyhexa-1,3,5-triene-1,3,5-triamine.

Molecular Properties

Compound Name(1E,3E)-1-methoxyhexa-1,3,5-triene-1,3,5-triamine
PubChem CID89010016
Molecular FormulaC7H13N3O
Molecular Weight155.20 g/mol
Exact Mass155.11
IUPAC Name(1E,3E)-1-methoxyhexa-1,3,5-triene-1,3,5-triamine
SMILESC=C(N)/C=C(N)\C=C(/N)OC
InChIInChI=1S/C7H13N3O/c1-5(8)3-6(9)4-7(10)11-2/h3-4H,1,8-10H2,2H3/b6-3+,7-4+
InChIKeyIZQWOUGTXDNNFB-XOKGJFMYSA-N
XLogP-0.25
TPSA87.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 5-0.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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 (1E,3E)-1-methoxyhexa-1,3,5-triene-1,3,5-triamine?
The IUPAC name of (1E,3E)-1-methoxyhexa-1,3,5-triene-1,3,5-triamine (CID 89010016) is (1E,3E)-1-methoxyhexa-1,3,5-triene-1,3,5-triamine.
What is the SMILES notation for (1E,3E)-1-methoxyhexa-1,3,5-triene-1,3,5-triamine?
The canonical SMILES for (1E,3E)-1-methoxyhexa-1,3,5-triene-1,3,5-triamine is C=C(N)/C=C(N)\C=C(/N)OC.
What is the InChIKey of (1E,3E)-1-methoxyhexa-1,3,5-triene-1,3,5-triamine?
The InChIKey is IZQWOUGTXDNNFB-XOKGJFMYSA-N. The full InChI is InChI=1S/C7H13N3O/c1-5(8)3-6(9)4-7(10)11-2/h3-4H,1,8-10H2,2H3/b6-3+,7-4+.
What are the key properties of (1E,3E)-1-methoxyhexa-1,3,5-triene-1,3,5-triamine?
(1E,3E)-1-methoxyhexa-1,3,5-triene-1,3,5-triamine has a molecular weight of 155.20 g/mol, XLogP of -0.25, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3E)-1-methoxyhexa-1,3,5-triene-1,3,5-triamine is sourced from PubChem (CID 89010016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).