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

C9H15NO — CID 144761141

IUPAC(3E)-2-ethoxy-5-methylhexa-1,3,5-trien-3-amine
SMILESC=C(C)/C=C(/N)C(=C)OCC
InChIInChI=1S/C9H15NO/c1-5-11-8(4)9(10)6-7(2)3/h6H,2,4-5,10H2,1,3H3/b9-6+
InChIKeyRCTKZAHDKVDBAX-RMKNXTFCSA-N
MW153.22 g/mol
LogP1.96
Rot. Bonds4

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

(3E)-2-ethoxy-5-methylhexa-1,3,5-trien-3-amine (PubChem CID 144761141) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is (3E)-2-ethoxy-5-methylhexa-1,3,5-trien-3-amine.

Molecular Properties

Compound Name(3E)-2-ethoxy-5-methylhexa-1,3,5-trien-3-amine
PubChem CID144761141
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name(3E)-2-ethoxy-5-methylhexa-1,3,5-trien-3-amine
SMILESC=C(C)/C=C(/N)C(=C)OCC
InChIInChI=1S/C9H15NO/c1-5-11-8(4)9(10)6-7(2)3/h6H,2,4-5,10H2,1,3H3/b9-6+
InChIKeyRCTKZAHDKVDBAX-RMKNXTFCSA-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'}

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

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

Launch Full Analysis

Related Compounds

(3Z)-3-ethylidene-5-fluoro-6-methoxy-4-methylidenecyclohexa-1,5-dien-1-amine
CID 177202516
(4E)-4-(2,2-difluoroethoxy)-2,6-dimethylhepta-2,4,6-trien-3-amine
CID 156872451
5-methyl-2H-pyran-3-amine
CID 70386428
(3E)-2-propan-2-yloxyhexa-1,3-dien-3-amine
CID 88945607
(3E,5Z)-3,7-dimethoxy-5-methylhepta-1,3,5-trien-2-amine
CID 90137721
5-methyl-2H-pyran-4-amine
CID 117900896
6-propan-2-yl-2H-pyran-3-amine
CID 118680547
(2E,4Z,6Z)-5-ethoxy-4-[(E)-prop-1-enyl]octa-2,4,6-trien-2-amine
CID 126711921
(3Z,5Z,7Z)-4-ethyl-5-(2-methylprop-2-enyl)-2-propoxynona-1,3,5,7-tetraen-3-amine
CID 129236489
N-[(3E,5E)-2,6-dimethyl-7-prop-1-en-2-yloxyhepta-1,3,5-trien-3-yl]thiohydroxylamine
CID 130374425
(3Z)-3-ethenoxy-4-methylhexa-1,3,5-trien-2-amine
CID 130389853
2-ethyl-4-methyl-2H-pyran-5-amine
CID 134420951

Frequently Asked Questions

What is the IUPAC name of (3E)-2-ethoxy-5-methylhexa-1,3,5-trien-3-amine?
The IUPAC name of (3E)-2-ethoxy-5-methylhexa-1,3,5-trien-3-amine (CID 144761141) is (3E)-2-ethoxy-5-methylhexa-1,3,5-trien-3-amine.
What is the SMILES notation for (3E)-2-ethoxy-5-methylhexa-1,3,5-trien-3-amine?
The canonical SMILES for (3E)-2-ethoxy-5-methylhexa-1,3,5-trien-3-amine is C=C(C)/C=C(/N)C(=C)OCC.
What is the InChIKey of (3E)-2-ethoxy-5-methylhexa-1,3,5-trien-3-amine?
The InChIKey is RCTKZAHDKVDBAX-RMKNXTFCSA-N. The full InChI is InChI=1S/C9H15NO/c1-5-11-8(4)9(10)6-7(2)3/h6H,2,4-5,10H2,1,3H3/b9-6+.
What are the key properties of (3E)-2-ethoxy-5-methylhexa-1,3,5-trien-3-amine?
(3E)-2-ethoxy-5-methylhexa-1,3,5-trien-3-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)-2-ethoxy-5-methylhexa-1,3,5-trien-3-amine is sourced from PubChem (CID 144761141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).