(2E,4E)-5-amino-3,6-dimethylocta-2,4-dien-2-ol

C10H19NO — CID 130391029

IUPAC(2E,4E)-5-amino-3,6-dimethylocta-2,4-dien-2-ol
SMILESCCC(C)/C(N)=C\C(C)=C(/C)O
InChIInChI=1S/C10H19NO/c1-5-7(2)10(11)6-8(3)9(4)12/h6-7,12H,5,11H2,1-4H3/b9-8+,10-6+
InChIKeyCZEYIDLLDHPAGS-JSAGYHNASA-N
MW169.27 g/mol
LogP2.73
Rot. Bonds3

About (2E,4E)-5-amino-3,6-dimethylocta-2,4-dien-2-ol

(2E,4E)-5-amino-3,6-dimethylocta-2,4-dien-2-ol (PubChem CID 130391029) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is (2E,4E)-5-amino-3,6-dimethylocta-2,4-dien-2-ol.

Molecular Properties

Compound Name(2E,4E)-5-amino-3,6-dimethylocta-2,4-dien-2-ol
PubChem CID130391029
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name(2E,4E)-5-amino-3,6-dimethylocta-2,4-dien-2-ol
SMILESCCC(C)/C(N)=C\C(C)=C(/C)O
InChIInChI=1S/C10H19NO/c1-5-7(2)10(11)6-8(3)9(4)12/h6-7,12H,5,11H2,1-4H3/b9-8+,10-6+
InChIKeyCZEYIDLLDHPAGS-JSAGYHNASA-N
XLogP2.73
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 52.73
H-Bond Donors ≤ 52
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 (2E,4E)-5-amino-3,6-dimethylocta-2,4-dien-2-ol 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 (2E,4E)-5-amino-3,6-dimethylocta-2,4-dien-2-ol?
The IUPAC name of (2E,4E)-5-amino-3,6-dimethylocta-2,4-dien-2-ol (CID 130391029) is (2E,4E)-5-amino-3,6-dimethylocta-2,4-dien-2-ol.
What is the SMILES notation for (2E,4E)-5-amino-3,6-dimethylocta-2,4-dien-2-ol?
The canonical SMILES for (2E,4E)-5-amino-3,6-dimethylocta-2,4-dien-2-ol is CCC(C)/C(N)=C\C(C)=C(/C)O.
What is the InChIKey of (2E,4E)-5-amino-3,6-dimethylocta-2,4-dien-2-ol?
The InChIKey is CZEYIDLLDHPAGS-JSAGYHNASA-N. The full InChI is InChI=1S/C10H19NO/c1-5-7(2)10(11)6-8(3)9(4)12/h6-7,12H,5,11H2,1-4H3/b9-8+,10-6+.
What are the key properties of (2E,4E)-5-amino-3,6-dimethylocta-2,4-dien-2-ol?
(2E,4E)-5-amino-3,6-dimethylocta-2,4-dien-2-ol has a molecular weight of 169.27 g/mol, XLogP of 2.73, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-5-amino-3,6-dimethylocta-2,4-dien-2-ol is sourced from PubChem (CID 130391029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).