N'-(C,N-dimethylcarbonimidoyl)-N-phenylmorpholine-4-carboximidamide

C14H20N4O — CID 10400393

IUPACN'-(C,N-dimethylcarbonimidoyl)-N-phenylmorpholine-4-carboximidamide
SMILESC/N=C(C)/N=C(/Nc1ccccc1)N1CCOCC1
InChIInChI=1S/C14H20N4O/c1-12(15-2)16-14(18-8-10-19-11-9-18)17-13-6-4-3-5-7-13/h3-7H,8-11H2,1-2H3,(H,15,16,17)
InChIKeyPGYNZCYQJCBTCX-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.83
Rot. Bonds1

About N'-(C,N-dimethylcarbonimidoyl)-N-phenylmorpholine-4-carboximidamide

N'-(C,N-dimethylcarbonimidoyl)-N-phenylmorpholine-4-carboximidamide (PubChem CID 10400393) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is N'-(C,N-dimethylcarbonimidoyl)-N-phenylmorpholine-4-carboximidamide.

Molecular Properties

Compound NameN'-(C,N-dimethylcarbonimidoyl)-N-phenylmorpholine-4-carboximidamide
PubChem CID10400393
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC NameN'-(C,N-dimethylcarbonimidoyl)-N-phenylmorpholine-4-carboximidamide
SMILESC/N=C(C)/N=C(/Nc1ccccc1)N1CCOCC1
InChIInChI=1S/C14H20N4O/c1-12(15-2)16-14(18-8-10-19-11-9-18)17-13-6-4-3-5-7-13/h3-7H,8-11H2,1-2H3,(H,15,16,17)
InChIKeyPGYNZCYQJCBTCX-UHFFFAOYSA-N
XLogP1.83
TPSA49.22 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.83
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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Frequently Asked Questions

What is the IUPAC name of N'-(C,N-dimethylcarbonimidoyl)-N-phenylmorpholine-4-carboximidamide?
The IUPAC name of N'-(C,N-dimethylcarbonimidoyl)-N-phenylmorpholine-4-carboximidamide (CID 10400393) is N'-(C,N-dimethylcarbonimidoyl)-N-phenylmorpholine-4-carboximidamide.
What is the SMILES notation for N'-(C,N-dimethylcarbonimidoyl)-N-phenylmorpholine-4-carboximidamide?
The canonical SMILES for N'-(C,N-dimethylcarbonimidoyl)-N-phenylmorpholine-4-carboximidamide is C/N=C(C)/N=C(/Nc1ccccc1)N1CCOCC1.
What is the InChIKey of N'-(C,N-dimethylcarbonimidoyl)-N-phenylmorpholine-4-carboximidamide?
The InChIKey is PGYNZCYQJCBTCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-12(15-2)16-14(18-8-10-19-11-9-18)17-13-6-4-3-5-7-13/h3-7H,8-11H2,1-2H3,(H,15,16,17).
What are the key properties of N'-(C,N-dimethylcarbonimidoyl)-N-phenylmorpholine-4-carboximidamide?
N'-(C,N-dimethylcarbonimidoyl)-N-phenylmorpholine-4-carboximidamide has a molecular weight of 260.34 g/mol, XLogP of 1.83, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(C,N-dimethylcarbonimidoyl)-N-phenylmorpholine-4-carboximidamide is sourced from PubChem (CID 10400393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).