(E)-3-benzylimino-2-(3,6-dimethylmorpholin-2-yl)prop-1-en-1-amine

C16H23N3O — CID 139358429

IUPAC(E)-3-benzylimino-2-(3,6-dimethylmorpholin-2-yl)prop-1-en-1-amine
SMILESCC1CNC(C)C(C(/C=N/Cc2ccccc2)=C/N)O1
InChIInChI=1S/C16H23N3O/c1-12-9-19-13(2)16(20-12)15(8-17)11-18-10-14-6-4-3-5-7-14/h3-8,11-13,16,19H,9-10,17H2,1-2H3/b15-8+,18-11+
InChIKeyKHOGALSLQWNIGT-GNSLQVMYSA-N
MW273.38 g/mol
LogP1.87
Rot. Bonds4

About (E)-3-benzylimino-2-(3,6-dimethylmorpholin-2-yl)prop-1-en-1-amine

(E)-3-benzylimino-2-(3,6-dimethylmorpholin-2-yl)prop-1-en-1-amine (PubChem CID 139358429) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is (E)-3-benzylimino-2-(3,6-dimethylmorpholin-2-yl)prop-1-en-1-amine.

Molecular Properties

Compound Name(E)-3-benzylimino-2-(3,6-dimethylmorpholin-2-yl)prop-1-en-1-amine
PubChem CID139358429
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name(E)-3-benzylimino-2-(3,6-dimethylmorpholin-2-yl)prop-1-en-1-amine
SMILESCC1CNC(C)C(C(/C=N/Cc2ccccc2)=C/N)O1
InChIInChI=1S/C16H23N3O/c1-12-9-19-13(2)16(20-12)15(8-17)11-18-10-14-6-4-3-5-7-14/h3-8,11-13,16,19H,9-10,17H2,1-2H3/b15-8+,18-11+
InChIKeyKHOGALSLQWNIGT-GNSLQVMYSA-N
XLogP1.87
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-3-benzylimino-2-(3,6-dimethylmorpholin-2-yl)prop-1-en-1-amine?
The IUPAC name of (E)-3-benzylimino-2-(3,6-dimethylmorpholin-2-yl)prop-1-en-1-amine (CID 139358429) is (E)-3-benzylimino-2-(3,6-dimethylmorpholin-2-yl)prop-1-en-1-amine.
What is the SMILES notation for (E)-3-benzylimino-2-(3,6-dimethylmorpholin-2-yl)prop-1-en-1-amine?
The canonical SMILES for (E)-3-benzylimino-2-(3,6-dimethylmorpholin-2-yl)prop-1-en-1-amine is CC1CNC(C)C(C(/C=N/Cc2ccccc2)=C/N)O1.
What is the InChIKey of (E)-3-benzylimino-2-(3,6-dimethylmorpholin-2-yl)prop-1-en-1-amine?
The InChIKey is KHOGALSLQWNIGT-GNSLQVMYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-12-9-19-13(2)16(20-12)15(8-17)11-18-10-14-6-4-3-5-7-14/h3-8,11-13,16,19H,9-10,17H2,1-2H3/b15-8+,18-11+.
What are the key properties of (E)-3-benzylimino-2-(3,6-dimethylmorpholin-2-yl)prop-1-en-1-amine?
(E)-3-benzylimino-2-(3,6-dimethylmorpholin-2-yl)prop-1-en-1-amine has a molecular weight of 273.38 g/mol, XLogP of 1.87, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-benzylimino-2-(3,6-dimethylmorpholin-2-yl)prop-1-en-1-amine is sourced from PubChem (CID 139358429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).