(E)-2-benzyl-3-imino-N-methyl-1,3-dimorpholin-4-ylprop-1-en-1-amine

C19H28N4O2 — CID 136645139

IUPAC(E)-2-benzyl-3-imino-N-methyl-1,3-dimorpholin-4-ylprop-1-en-1-amine
SMILES[H]/N=C(C(/Cc1ccccc1)=C(\NC)N1CCOCC1)\N1CCOCC1
InChIInChI=1S/C19H28N4O2/c1-21-19(23-9-13-25-14-10-23)17(15-16-5-3-2-4-6-16)18(20)22-7-11-24-12-8-22/h2-6,20-21H,7-15H2,1H3/b19-17+,20-18-
InChIKeyLIGKLPDJVYKHRD-NADBREJJSA-N
MW344.46 g/mol
LogP1.30
Rot. Bonds5

About (E)-2-benzyl-3-imino-N-methyl-1,3-dimorpholin-4-ylprop-1-en-1-amine

(E)-2-benzyl-3-imino-N-methyl-1,3-dimorpholin-4-ylprop-1-en-1-amine (PubChem CID 136645139) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is (E)-2-benzyl-3-imino-N-methyl-1,3-dimorpholin-4-ylprop-1-en-1-amine.

Molecular Properties

Compound Name(E)-2-benzyl-3-imino-N-methyl-1,3-dimorpholin-4-ylprop-1-en-1-amine
PubChem CID136645139
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC Name(E)-2-benzyl-3-imino-N-methyl-1,3-dimorpholin-4-ylprop-1-en-1-amine
SMILES[H]/N=C(C(/Cc1ccccc1)=C(\NC)N1CCOCC1)\N1CCOCC1
InChIInChI=1S/C19H28N4O2/c1-21-19(23-9-13-25-14-10-23)17(15-16-5-3-2-4-6-16)18(20)22-7-11-24-12-8-22/h2-6,20-21H,7-15H2,1H3/b19-17+,20-18-
InChIKeyLIGKLPDJVYKHRD-NADBREJJSA-N
XLogP1.30
TPSA60.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-2-benzyl-3-imino-N-methyl-1,3-dimorpholin-4-ylprop-1-en-1-amine?
The IUPAC name of (E)-2-benzyl-3-imino-N-methyl-1,3-dimorpholin-4-ylprop-1-en-1-amine (CID 136645139) is (E)-2-benzyl-3-imino-N-methyl-1,3-dimorpholin-4-ylprop-1-en-1-amine.
What is the SMILES notation for (E)-2-benzyl-3-imino-N-methyl-1,3-dimorpholin-4-ylprop-1-en-1-amine?
The canonical SMILES for (E)-2-benzyl-3-imino-N-methyl-1,3-dimorpholin-4-ylprop-1-en-1-amine is [H]/N=C(C(/Cc1ccccc1)=C(\NC)N1CCOCC1)\N1CCOCC1.
What is the InChIKey of (E)-2-benzyl-3-imino-N-methyl-1,3-dimorpholin-4-ylprop-1-en-1-amine?
The InChIKey is LIGKLPDJVYKHRD-NADBREJJSA-N. The full InChI is InChI=1S/C19H28N4O2/c1-21-19(23-9-13-25-14-10-23)17(15-16-5-3-2-4-6-16)18(20)22-7-11-24-12-8-22/h2-6,20-21H,7-15H2,1H3/b19-17+,20-18-.
What are the key properties of (E)-2-benzyl-3-imino-N-methyl-1,3-dimorpholin-4-ylprop-1-en-1-amine?
(E)-2-benzyl-3-imino-N-methyl-1,3-dimorpholin-4-ylprop-1-en-1-amine has a molecular weight of 344.46 g/mol, XLogP of 1.30, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-benzyl-3-imino-N-methyl-1,3-dimorpholin-4-ylprop-1-en-1-amine is sourced from PubChem (CID 136645139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).