(NE)-N-(1-aminoethylidene)-N'-phenylmorpholine-4-carboximidamide

C13H18N4O — CID 10332164

IUPAC(NE)-N-(1-aminoethylidene)-N'-phenylmorpholine-4-carboximidamide
SMILESC/C(N)=N\C(=N/c1ccccc1)N1CCOCC1
InChIInChI=1S/C13H18N4O/c1-11(14)15-13(17-7-9-18-10-8-17)16-12-5-3-2-4-6-12/h2-6H,7-10H2,1H3,(H2,14,15,16)
InChIKeyOJEITHSGKJXIGU-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.38
Rot. Bonds1

About (NE)-N-(1-aminoethylidene)-N'-phenylmorpholine-4-carboximidamide

(NE)-N-(1-aminoethylidene)-N'-phenylmorpholine-4-carboximidamide (PubChem CID 10332164) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is (NE)-N-(1-aminoethylidene)-N'-phenylmorpholine-4-carboximidamide.

Molecular Properties

Compound Name(NE)-N-(1-aminoethylidene)-N'-phenylmorpholine-4-carboximidamide
PubChem CID10332164
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name(NE)-N-(1-aminoethylidene)-N'-phenylmorpholine-4-carboximidamide
SMILESC/C(N)=N\C(=N/c1ccccc1)N1CCOCC1
InChIInChI=1S/C13H18N4O/c1-11(14)15-13(17-7-9-18-10-8-17)16-12-5-3-2-4-6-12/h2-6H,7-10H2,1H3,(H2,14,15,16)
InChIKeyOJEITHSGKJXIGU-UHFFFAOYSA-N
XLogP1.38
TPSA63.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.38
H-Bond Donors ≤ 51
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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Related Compounds

N-(3-Morpholin-4-ylmethyl-phenyl)-acetamidine
CID 10786837
N'-phenylmorpholine-4-carboximidamide
CID 4183808
Linogliride
CID 6536869
N'-(C-methyl-N-propylcarbonimidoyl)-N-phenylmorpholine-4-carboximidamide
CID 9817416
N-phenyl-N'-(C-propan-2-yl-N-propylcarbonimidoyl)morpholine-4-carboximidamide
CID 9973084
N'-(N-methyl-C-propan-2-ylcarbonimidoyl)-N-phenylmorpholine-4-carboximidamide
CID 9994303
N'-(N-ethyl-C-propan-2-ylcarbonimidoyl)-N-phenylmorpholine-4-carboximidamide
CID 9995103
N'-(N-ethyl-C-methylcarbonimidoyl)-N-phenylmorpholine-4-carboximidamide
CID 10039025
N'-(C-ethyl-N-methylcarbonimidoyl)-N-phenylmorpholine-4-carboximidamide
CID 10084744
N'-[N-(2-hydroxyethyl)-C-methylcarbonimidoyl]-N-phenylmorpholine-4-carboximidamide
CID 10379471
N'-(C,N-dimethylcarbonimidoyl)-N-phenylmorpholine-4-carboximidamide
CID 10400393
N'-(N-tert-butyl-C-methylcarbonimidoyl)-N-phenylmorpholine-4-carboximidamide
CID 10402677

Frequently Asked Questions

What is the IUPAC name of (NE)-N-(1-aminoethylidene)-N'-phenylmorpholine-4-carboximidamide?
The IUPAC name of (NE)-N-(1-aminoethylidene)-N'-phenylmorpholine-4-carboximidamide (CID 10332164) is (NE)-N-(1-aminoethylidene)-N'-phenylmorpholine-4-carboximidamide.
What is the SMILES notation for (NE)-N-(1-aminoethylidene)-N'-phenylmorpholine-4-carboximidamide?
The canonical SMILES for (NE)-N-(1-aminoethylidene)-N'-phenylmorpholine-4-carboximidamide is C/C(N)=N\C(=N/c1ccccc1)N1CCOCC1.
What is the InChIKey of (NE)-N-(1-aminoethylidene)-N'-phenylmorpholine-4-carboximidamide?
The InChIKey is OJEITHSGKJXIGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-11(14)15-13(17-7-9-18-10-8-17)16-12-5-3-2-4-6-12/h2-6H,7-10H2,1H3,(H2,14,15,16).
What are the key properties of (NE)-N-(1-aminoethylidene)-N'-phenylmorpholine-4-carboximidamide?
(NE)-N-(1-aminoethylidene)-N'-phenylmorpholine-4-carboximidamide has a molecular weight of 246.31 g/mol, XLogP of 1.38, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-(1-aminoethylidene)-N'-phenylmorpholine-4-carboximidamide is sourced from PubChem (CID 10332164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).