(3Z,5E)-3-methoxy-7,7-dimethylocta-1,3,5-trien-4-amine

C11H19NO — CID 88960998

IUPAC(3Z,5E)-3-methoxy-7,7-dimethylocta-1,3,5-trien-4-amine
SMILESC=C/C(OC)=C(N)\C=C\C(C)(C)C
InChIInChI=1S/C11H19NO/c1-6-10(13-5)9(12)7-8-11(2,3)4/h6-8H,1,12H2,2-5H3/b8-7+,10-9-
InChIKeyORYZOTKZPVAVNC-GOJKSUSPSA-N
MW181.28 g/mol
LogP2.59
Rot. Bonds3

About (3Z,5E)-3-methoxy-7,7-dimethylocta-1,3,5-trien-4-amine

(3Z,5E)-3-methoxy-7,7-dimethylocta-1,3,5-trien-4-amine (PubChem CID 88960998) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is (3Z,5E)-3-methoxy-7,7-dimethylocta-1,3,5-trien-4-amine.

Molecular Properties

Compound Name(3Z,5E)-3-methoxy-7,7-dimethylocta-1,3,5-trien-4-amine
PubChem CID88960998
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name(3Z,5E)-3-methoxy-7,7-dimethylocta-1,3,5-trien-4-amine
SMILESC=C/C(OC)=C(N)\C=C\C(C)(C)C
InChIInChI=1S/C11H19NO/c1-6-10(13-5)9(12)7-8-11(2,3)4/h6-8H,1,12H2,2-5H3/b8-7+,10-9-
InChIKeyORYZOTKZPVAVNC-GOJKSUSPSA-N
XLogP2.59
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.59
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 (3Z,5E)-3-methoxy-7,7-dimethylocta-1,3,5-trien-4-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 (3Z,5E)-3-methoxy-7,7-dimethylocta-1,3,5-trien-4-amine?
The IUPAC name of (3Z,5E)-3-methoxy-7,7-dimethylocta-1,3,5-trien-4-amine (CID 88960998) is (3Z,5E)-3-methoxy-7,7-dimethylocta-1,3,5-trien-4-amine.
What is the SMILES notation for (3Z,5E)-3-methoxy-7,7-dimethylocta-1,3,5-trien-4-amine?
The canonical SMILES for (3Z,5E)-3-methoxy-7,7-dimethylocta-1,3,5-trien-4-amine is C=C/C(OC)=C(N)\C=C\C(C)(C)C.
What is the InChIKey of (3Z,5E)-3-methoxy-7,7-dimethylocta-1,3,5-trien-4-amine?
The InChIKey is ORYZOTKZPVAVNC-GOJKSUSPSA-N. The full InChI is InChI=1S/C11H19NO/c1-6-10(13-5)9(12)7-8-11(2,3)4/h6-8H,1,12H2,2-5H3/b8-7+,10-9-.
What are the key properties of (3Z,5E)-3-methoxy-7,7-dimethylocta-1,3,5-trien-4-amine?
(3Z,5E)-3-methoxy-7,7-dimethylocta-1,3,5-trien-4-amine has a molecular weight of 181.28 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5E)-3-methoxy-7,7-dimethylocta-1,3,5-trien-4-amine is sourced from PubChem (CID 88960998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).