(NE)-N-(dimethylaminomethylidene)-N'-phenylmorpholine-4-carboximidamide

C14H20N4O — CID 10400392

IUPAC(NE)-N-(dimethylaminomethylidene)-N'-phenylmorpholine-4-carboximidamide
SMILESCN(C)/C=N/C(=N\c1ccccc1)N1CCOCC1
InChIInChI=1S/C14H20N4O/c1-17(2)12-15-14(18-8-10-19-11-9-18)16-13-6-4-3-5-7-13/h3-7,12H,8-11H2,1-2H3/b15-12+,16-14+
InChIKeySGNSJFQDMWPSCC-GEUXYWKZSA-N
MW260.34 g/mol
LogP1.60
Rot. Bonds2

About (NE)-N-(dimethylaminomethylidene)-N'-phenylmorpholine-4-carboximidamide

(NE)-N-(dimethylaminomethylidene)-N'-phenylmorpholine-4-carboximidamide (PubChem CID 10400392) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is (NE)-N-(dimethylaminomethylidene)-N'-phenylmorpholine-4-carboximidamide.

Molecular Properties

Compound Name(NE)-N-(dimethylaminomethylidene)-N'-phenylmorpholine-4-carboximidamide
PubChem CID10400392
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name(NE)-N-(dimethylaminomethylidene)-N'-phenylmorpholine-4-carboximidamide
SMILESCN(C)/C=N/C(=N\c1ccccc1)N1CCOCC1
InChIInChI=1S/C14H20N4O/c1-17(2)12-15-14(18-8-10-19-11-9-18)16-13-6-4-3-5-7-13/h3-7,12H,8-11H2,1-2H3/b15-12+,16-14+
InChIKeySGNSJFQDMWPSCC-GEUXYWKZSA-N
XLogP1.60
TPSA40.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 (NE)-N-(dimethylaminomethylidene)-N'-phenylmorpholine-4-carboximidamide?
The IUPAC name of (NE)-N-(dimethylaminomethylidene)-N'-phenylmorpholine-4-carboximidamide (CID 10400392) is (NE)-N-(dimethylaminomethylidene)-N'-phenylmorpholine-4-carboximidamide.
What is the SMILES notation for (NE)-N-(dimethylaminomethylidene)-N'-phenylmorpholine-4-carboximidamide?
The canonical SMILES for (NE)-N-(dimethylaminomethylidene)-N'-phenylmorpholine-4-carboximidamide is CN(C)/C=N/C(=N\c1ccccc1)N1CCOCC1.
What is the InChIKey of (NE)-N-(dimethylaminomethylidene)-N'-phenylmorpholine-4-carboximidamide?
The InChIKey is SGNSJFQDMWPSCC-GEUXYWKZSA-N. The full InChI is InChI=1S/C14H20N4O/c1-17(2)12-15-14(18-8-10-19-11-9-18)16-13-6-4-3-5-7-13/h3-7,12H,8-11H2,1-2H3/b15-12+,16-14+.
What are the key properties of (NE)-N-(dimethylaminomethylidene)-N'-phenylmorpholine-4-carboximidamide?
(NE)-N-(dimethylaminomethylidene)-N'-phenylmorpholine-4-carboximidamide has a molecular weight of 260.34 g/mol, XLogP of 1.60, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-(dimethylaminomethylidene)-N'-phenylmorpholine-4-carboximidamide is sourced from PubChem (CID 10400392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).