(1Z,3Z,5E)-6-ethoxy-3-methylhexa-1,3,5-trien-1-amine

C9H15NO — CID 146656925

IUPAC(1Z,3Z,5E)-6-ethoxy-3-methylhexa-1,3,5-trien-1-amine
SMILESCCO/C=C/C=C(C)\C=C/N
InChIInChI=1S/C9H15NO/c1-3-11-8-4-5-9(2)6-7-10/h4-8H,3,10H2,1-2H3/b7-6-,8-4+,9-5-
InChIKeyQEEIGXBGHMRQMG-ZEELDGCASA-N
MW153.22 g/mol
LogP1.96
Rot. Bonds4

About (1Z,3Z,5E)-6-ethoxy-3-methylhexa-1,3,5-trien-1-amine

(1Z,3Z,5E)-6-ethoxy-3-methylhexa-1,3,5-trien-1-amine (PubChem CID 146656925) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is (1Z,3Z,5E)-6-ethoxy-3-methylhexa-1,3,5-trien-1-amine.

Molecular Properties

Compound Name(1Z,3Z,5E)-6-ethoxy-3-methylhexa-1,3,5-trien-1-amine
PubChem CID146656925
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name(1Z,3Z,5E)-6-ethoxy-3-methylhexa-1,3,5-trien-1-amine
SMILESCCO/C=C/C=C(C)\C=C/N
InChIInChI=1S/C9H15NO/c1-3-11-8-4-5-9(2)6-7-10/h4-8H,3,10H2,1-2H3/b7-6-,8-4+,9-5-
InChIKeyQEEIGXBGHMRQMG-ZEELDGCASA-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 (1Z,3Z,5E)-6-ethoxy-3-methylhexa-1,3,5-trien-1-amine?
The IUPAC name of (1Z,3Z,5E)-6-ethoxy-3-methylhexa-1,3,5-trien-1-amine (CID 146656925) is (1Z,3Z,5E)-6-ethoxy-3-methylhexa-1,3,5-trien-1-amine.
What is the SMILES notation for (1Z,3Z,5E)-6-ethoxy-3-methylhexa-1,3,5-trien-1-amine?
The canonical SMILES for (1Z,3Z,5E)-6-ethoxy-3-methylhexa-1,3,5-trien-1-amine is CCO/C=C/C=C(C)\C=C/N.
What is the InChIKey of (1Z,3Z,5E)-6-ethoxy-3-methylhexa-1,3,5-trien-1-amine?
The InChIKey is QEEIGXBGHMRQMG-ZEELDGCASA-N. The full InChI is InChI=1S/C9H15NO/c1-3-11-8-4-5-9(2)6-7-10/h4-8H,3,10H2,1-2H3/b7-6-,8-4+,9-5-.
What are the key properties of (1Z,3Z,5E)-6-ethoxy-3-methylhexa-1,3,5-trien-1-amine?
(1Z,3Z,5E)-6-ethoxy-3-methylhexa-1,3,5-trien-1-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 (1Z,3Z,5E)-6-ethoxy-3-methylhexa-1,3,5-trien-1-amine is sourced from PubChem (CID 146656925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).