(1Z,3E)-1-methoxy-2-phenylpenta-1,3-diene-1,4-diamine

C12H16N2O — CID 89206609

IUPAC(1Z,3E)-1-methoxy-2-phenylpenta-1,3-diene-1,4-diamine
SMILESCO/C(N)=C(/C=C(\C)N)c1ccccc1
InChIInChI=1S/C12H16N2O/c1-9(13)8-11(12(14)15-2)10-6-4-3-5-7-10/h3-8H,13-14H2,1-2H3/b9-8+,12-11-
InChIKeyVPMIBLFAMREPMH-UPDVNHGHSA-N
MW204.27 g/mol
LogP1.82
Rot. Bonds3

About (1Z,3E)-1-methoxy-2-phenylpenta-1,3-diene-1,4-diamine

(1Z,3E)-1-methoxy-2-phenylpenta-1,3-diene-1,4-diamine (PubChem CID 89206609) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is (1Z,3E)-1-methoxy-2-phenylpenta-1,3-diene-1,4-diamine.

Molecular Properties

Compound Name(1Z,3E)-1-methoxy-2-phenylpenta-1,3-diene-1,4-diamine
PubChem CID89206609
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name(1Z,3E)-1-methoxy-2-phenylpenta-1,3-diene-1,4-diamine
SMILESCO/C(N)=C(/C=C(\C)N)c1ccccc1
InChIInChI=1S/C12H16N2O/c1-9(13)8-11(12(14)15-2)10-6-4-3-5-7-10/h3-8H,13-14H2,1-2H3/b9-8+,12-11-
InChIKeyVPMIBLFAMREPMH-UPDVNHGHSA-N
XLogP1.82
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (1Z,3E)-1-methoxy-2-phenylpenta-1,3-diene-1,4-diamine 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 (1Z,3E)-1-methoxy-2-phenylpenta-1,3-diene-1,4-diamine?
The IUPAC name of (1Z,3E)-1-methoxy-2-phenylpenta-1,3-diene-1,4-diamine (CID 89206609) is (1Z,3E)-1-methoxy-2-phenylpenta-1,3-diene-1,4-diamine.
What is the SMILES notation for (1Z,3E)-1-methoxy-2-phenylpenta-1,3-diene-1,4-diamine?
The canonical SMILES for (1Z,3E)-1-methoxy-2-phenylpenta-1,3-diene-1,4-diamine is CO/C(N)=C(/C=C(\C)N)c1ccccc1.
What is the InChIKey of (1Z,3E)-1-methoxy-2-phenylpenta-1,3-diene-1,4-diamine?
The InChIKey is VPMIBLFAMREPMH-UPDVNHGHSA-N. The full InChI is InChI=1S/C12H16N2O/c1-9(13)8-11(12(14)15-2)10-6-4-3-5-7-10/h3-8H,13-14H2,1-2H3/b9-8+,12-11-.
What are the key properties of (1Z,3E)-1-methoxy-2-phenylpenta-1,3-diene-1,4-diamine?
(1Z,3E)-1-methoxy-2-phenylpenta-1,3-diene-1,4-diamine has a molecular weight of 204.27 g/mol, XLogP of 1.82, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3E)-1-methoxy-2-phenylpenta-1,3-diene-1,4-diamine is sourced from PubChem (CID 89206609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).