(3Z,5E)-6-methoxy-2-methylocta-3,5,7-trien-3-amine

C10H17NO — CID 88936644

IUPAC(3Z,5E)-6-methoxy-2-methylocta-3,5,7-trien-3-amine
SMILESC=C/C(=C\C=C(/N)C(C)C)OC
InChIInChI=1S/C10H17NO/c1-5-9(12-4)6-7-10(11)8(2)3/h5-8H,1,11H2,2-4H3/b9-6+,10-7-
InChIKeyYVRHLIYDXJVTDI-FPXDHTHPSA-N
MW167.25 g/mol
LogP2.20
Rot. Bonds4

About (3Z,5E)-6-methoxy-2-methylocta-3,5,7-trien-3-amine

(3Z,5E)-6-methoxy-2-methylocta-3,5,7-trien-3-amine (PubChem CID 88936644) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is (3Z,5E)-6-methoxy-2-methylocta-3,5,7-trien-3-amine.

Molecular Properties

Compound Name(3Z,5E)-6-methoxy-2-methylocta-3,5,7-trien-3-amine
PubChem CID88936644
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name(3Z,5E)-6-methoxy-2-methylocta-3,5,7-trien-3-amine
SMILESC=C/C(=C\C=C(/N)C(C)C)OC
InChIInChI=1S/C10H17NO/c1-5-9(12-4)6-7-10(11)8(2)3/h5-8H,1,11H2,2-4H3/b9-6+,10-7-
InChIKeyYVRHLIYDXJVTDI-FPXDHTHPSA-N
XLogP2.20
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 52.20
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)-6-methoxy-2-methylocta-3,5,7-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

Frequently Asked Questions

What is the IUPAC name of (3Z,5E)-6-methoxy-2-methylocta-3,5,7-trien-3-amine?
The IUPAC name of (3Z,5E)-6-methoxy-2-methylocta-3,5,7-trien-3-amine (CID 88936644) is (3Z,5E)-6-methoxy-2-methylocta-3,5,7-trien-3-amine.
What is the SMILES notation for (3Z,5E)-6-methoxy-2-methylocta-3,5,7-trien-3-amine?
The canonical SMILES for (3Z,5E)-6-methoxy-2-methylocta-3,5,7-trien-3-amine is C=C/C(=C\C=C(/N)C(C)C)OC.
What is the InChIKey of (3Z,5E)-6-methoxy-2-methylocta-3,5,7-trien-3-amine?
The InChIKey is YVRHLIYDXJVTDI-FPXDHTHPSA-N. The full InChI is InChI=1S/C10H17NO/c1-5-9(12-4)6-7-10(11)8(2)3/h5-8H,1,11H2,2-4H3/b9-6+,10-7-.
What are the key properties of (3Z,5E)-6-methoxy-2-methylocta-3,5,7-trien-3-amine?
(3Z,5E)-6-methoxy-2-methylocta-3,5,7-trien-3-amine has a molecular weight of 167.25 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5E)-6-methoxy-2-methylocta-3,5,7-trien-3-amine is sourced from PubChem (CID 88936644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).