(E)-2-benzyl-1-ethoxy-3-iminoprop-1-en-1-amine

C12H16N2O — CID 143937115

IUPAC(E)-2-benzyl-1-ethoxy-3-iminoprop-1-en-1-amine
SMILES[H]/N=C/C(Cc1ccccc1)=C(\N)OCC
InChIInChI=1S/C12H16N2O/c1-2-15-12(14)11(9-13)8-10-6-4-3-5-7-10/h3-7,9,13H,2,8,14H2,1H3/b12-11+,13-9+
InChIKeyOFZNMSKNFLKVMH-HYKWIDACSA-N
MW204.27 g/mol
LogP2.09
Rot. Bonds5

About (E)-2-benzyl-1-ethoxy-3-iminoprop-1-en-1-amine

(E)-2-benzyl-1-ethoxy-3-iminoprop-1-en-1-amine (PubChem CID 143937115) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is (E)-2-benzyl-1-ethoxy-3-iminoprop-1-en-1-amine.

Molecular Properties

Compound Name(E)-2-benzyl-1-ethoxy-3-iminoprop-1-en-1-amine
PubChem CID143937115
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name(E)-2-benzyl-1-ethoxy-3-iminoprop-1-en-1-amine
SMILES[H]/N=C/C(Cc1ccccc1)=C(\N)OCC
InChIInChI=1S/C12H16N2O/c1-2-15-12(14)11(9-13)8-10-6-4-3-5-7-10/h3-7,9,13H,2,8,14H2,1H3/b12-11+,13-9+
InChIKeyOFZNMSKNFLKVMH-HYKWIDACSA-N
XLogP2.09
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-2-benzyl-1-ethoxy-3-iminoprop-1-en-1-amine?
The IUPAC name of (E)-2-benzyl-1-ethoxy-3-iminoprop-1-en-1-amine (CID 143937115) is (E)-2-benzyl-1-ethoxy-3-iminoprop-1-en-1-amine.
What is the SMILES notation for (E)-2-benzyl-1-ethoxy-3-iminoprop-1-en-1-amine?
The canonical SMILES for (E)-2-benzyl-1-ethoxy-3-iminoprop-1-en-1-amine is [H]/N=C/C(Cc1ccccc1)=C(\N)OCC.
What is the InChIKey of (E)-2-benzyl-1-ethoxy-3-iminoprop-1-en-1-amine?
The InChIKey is OFZNMSKNFLKVMH-HYKWIDACSA-N. The full InChI is InChI=1S/C12H16N2O/c1-2-15-12(14)11(9-13)8-10-6-4-3-5-7-10/h3-7,9,13H,2,8,14H2,1H3/b12-11+,13-9+.
What are the key properties of (E)-2-benzyl-1-ethoxy-3-iminoprop-1-en-1-amine?
(E)-2-benzyl-1-ethoxy-3-iminoprop-1-en-1-amine has a molecular weight of 204.27 g/mol, XLogP of 2.09, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-benzyl-1-ethoxy-3-iminoprop-1-en-1-amine is sourced from PubChem (CID 143937115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).