(1Z,3Z)-1-methoxy-2-phenylpenta-1,3-dien-1-amine

C12H15NO — CID 134481228

IUPAC(1Z,3Z)-1-methoxy-2-phenylpenta-1,3-dien-1-amine
SMILESC/C=C\C(=C(/N)OC)c1ccccc1
InChIInChI=1S/C12H15NO/c1-3-7-11(12(13)14-2)10-8-5-4-6-9-10/h3-9H,13H2,1-2H3/b7-3-,12-11-
InChIKeyGWANEEREXDEASF-RFJXNOEISA-N
MW189.26 g/mol
LogP2.54
Rot. Bonds3

About (1Z,3Z)-1-methoxy-2-phenylpenta-1,3-dien-1-amine

(1Z,3Z)-1-methoxy-2-phenylpenta-1,3-dien-1-amine (PubChem CID 134481228) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is (1Z,3Z)-1-methoxy-2-phenylpenta-1,3-dien-1-amine.

Molecular Properties

Compound Name(1Z,3Z)-1-methoxy-2-phenylpenta-1,3-dien-1-amine
PubChem CID134481228
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name(1Z,3Z)-1-methoxy-2-phenylpenta-1,3-dien-1-amine
SMILESC/C=C\C(=C(/N)OC)c1ccccc1
InChIInChI=1S/C12H15NO/c1-3-7-11(12(13)14-2)10-8-5-4-6-9-10/h3-9H,13H2,1-2H3/b7-3-,12-11-
InChIKeyGWANEEREXDEASF-RFJXNOEISA-N
XLogP2.54
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.54
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'}

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Frequently Asked Questions

What is the IUPAC name of (1Z,3Z)-1-methoxy-2-phenylpenta-1,3-dien-1-amine?
The IUPAC name of (1Z,3Z)-1-methoxy-2-phenylpenta-1,3-dien-1-amine (CID 134481228) is (1Z,3Z)-1-methoxy-2-phenylpenta-1,3-dien-1-amine.
What is the SMILES notation for (1Z,3Z)-1-methoxy-2-phenylpenta-1,3-dien-1-amine?
The canonical SMILES for (1Z,3Z)-1-methoxy-2-phenylpenta-1,3-dien-1-amine is C/C=C\C(=C(/N)OC)c1ccccc1.
What is the InChIKey of (1Z,3Z)-1-methoxy-2-phenylpenta-1,3-dien-1-amine?
The InChIKey is GWANEEREXDEASF-RFJXNOEISA-N. The full InChI is InChI=1S/C12H15NO/c1-3-7-11(12(13)14-2)10-8-5-4-6-9-10/h3-9H,13H2,1-2H3/b7-3-,12-11-.
What are the key properties of (1Z,3Z)-1-methoxy-2-phenylpenta-1,3-dien-1-amine?
(1Z,3Z)-1-methoxy-2-phenylpenta-1,3-dien-1-amine has a molecular weight of 189.26 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3Z)-1-methoxy-2-phenylpenta-1,3-dien-1-amine is sourced from PubChem (CID 134481228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).