(1E,3Z)-2-methoxy-5-methylhexa-1,3,5-trien-1-amine

C8H13NO — CID 89400041

IUPAC(1E,3Z)-2-methoxy-5-methylhexa-1,3,5-trien-1-amine
SMILESC=C(C)/C=C\C(=C/N)OC
InChIInChI=1S/C8H13NO/c1-7(2)4-5-8(6-9)10-3/h4-6H,1,9H2,2-3H3/b5-4-,8-6+
InChIKeyTTWUTASEBDIOMB-GSGSLZOQSA-N
MW139.20 g/mol
LogP1.57
Rot. Bonds3

About (1E,3Z)-2-methoxy-5-methylhexa-1,3,5-trien-1-amine

(1E,3Z)-2-methoxy-5-methylhexa-1,3,5-trien-1-amine (PubChem CID 89400041) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is (1E,3Z)-2-methoxy-5-methylhexa-1,3,5-trien-1-amine.

Molecular Properties

Compound Name(1E,3Z)-2-methoxy-5-methylhexa-1,3,5-trien-1-amine
PubChem CID89400041
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name(1E,3Z)-2-methoxy-5-methylhexa-1,3,5-trien-1-amine
SMILESC=C(C)/C=C\C(=C/N)OC
InChIInChI=1S/C8H13NO/c1-7(2)4-5-8(6-9)10-3/h4-6H,1,9H2,2-3H3/b5-4-,8-6+
InChIKeyTTWUTASEBDIOMB-GSGSLZOQSA-N
XLogP1.57
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.57
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'}

Analyze (1E,3Z)-2-methoxy-5-methylhexa-1,3,5-trien-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1E,3Z)-2-methoxy-5-methylhexa-1,3,5-trien-1-amine?
The IUPAC name of (1E,3Z)-2-methoxy-5-methylhexa-1,3,5-trien-1-amine (CID 89400041) is (1E,3Z)-2-methoxy-5-methylhexa-1,3,5-trien-1-amine.
What is the SMILES notation for (1E,3Z)-2-methoxy-5-methylhexa-1,3,5-trien-1-amine?
The canonical SMILES for (1E,3Z)-2-methoxy-5-methylhexa-1,3,5-trien-1-amine is C=C(C)/C=C\C(=C/N)OC.
What is the InChIKey of (1E,3Z)-2-methoxy-5-methylhexa-1,3,5-trien-1-amine?
The InChIKey is TTWUTASEBDIOMB-GSGSLZOQSA-N. The full InChI is InChI=1S/C8H13NO/c1-7(2)4-5-8(6-9)10-3/h4-6H,1,9H2,2-3H3/b5-4-,8-6+.
What are the key properties of (1E,3Z)-2-methoxy-5-methylhexa-1,3,5-trien-1-amine?
(1E,3Z)-2-methoxy-5-methylhexa-1,3,5-trien-1-amine has a molecular weight of 139.20 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3Z)-2-methoxy-5-methylhexa-1,3,5-trien-1-amine is sourced from PubChem (CID 89400041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).