N'-(C-methyl-N-propan-2-ylcarbonimidoyl)-N-phenylmorpholine-4-carboximidamide

C16H24N4O — CID 10424218

IUPACN'-(C-methyl-N-propan-2-ylcarbonimidoyl)-N-phenylmorpholine-4-carboximidamide
SMILESCC(/N=C(/Nc1ccccc1)N1CCOCC1)=N\C(C)C
InChIInChI=1S/C16H24N4O/c1-13(2)17-14(3)18-16(20-9-11-21-12-10-20)19-15-7-5-4-6-8-15/h4-8,13H,9-12H2,1-3H3,(H,17,18,19)
InChIKeyHJUQIEDGYYCFNH-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.61
Rot. Bonds2

About N'-(C-methyl-N-propan-2-ylcarbonimidoyl)-N-phenylmorpholine-4-carboximidamide

N'-(C-methyl-N-propan-2-ylcarbonimidoyl)-N-phenylmorpholine-4-carboximidamide (PubChem CID 10424218) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is N'-(C-methyl-N-propan-2-ylcarbonimidoyl)-N-phenylmorpholine-4-carboximidamide.

Molecular Properties

Compound NameN'-(C-methyl-N-propan-2-ylcarbonimidoyl)-N-phenylmorpholine-4-carboximidamide
PubChem CID10424218
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC NameN'-(C-methyl-N-propan-2-ylcarbonimidoyl)-N-phenylmorpholine-4-carboximidamide
SMILESCC(/N=C(/Nc1ccccc1)N1CCOCC1)=N\C(C)C
InChIInChI=1S/C16H24N4O/c1-13(2)17-14(3)18-16(20-9-11-21-12-10-20)19-15-7-5-4-6-8-15/h4-8,13H,9-12H2,1-3H3,(H,17,18,19)
InChIKeyHJUQIEDGYYCFNH-UHFFFAOYSA-N
XLogP2.61
TPSA49.22 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.61
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-methyl-N-propan-2-ylcarbonimidoyl)-N-phenylmorpholine-4-carboximidamide?
The IUPAC name of N'-(C-methyl-N-propan-2-ylcarbonimidoyl)-N-phenylmorpholine-4-carboximidamide (CID 10424218) is N'-(C-methyl-N-propan-2-ylcarbonimidoyl)-N-phenylmorpholine-4-carboximidamide.
What is the SMILES notation for N'-(C-methyl-N-propan-2-ylcarbonimidoyl)-N-phenylmorpholine-4-carboximidamide?
The canonical SMILES for N'-(C-methyl-N-propan-2-ylcarbonimidoyl)-N-phenylmorpholine-4-carboximidamide is CC(/N=C(/Nc1ccccc1)N1CCOCC1)=N\C(C)C.
What is the InChIKey of N'-(C-methyl-N-propan-2-ylcarbonimidoyl)-N-phenylmorpholine-4-carboximidamide?
The InChIKey is HJUQIEDGYYCFNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-13(2)17-14(3)18-16(20-9-11-21-12-10-20)19-15-7-5-4-6-8-15/h4-8,13H,9-12H2,1-3H3,(H,17,18,19).
What are the key properties of N'-(C-methyl-N-propan-2-ylcarbonimidoyl)-N-phenylmorpholine-4-carboximidamide?
N'-(C-methyl-N-propan-2-ylcarbonimidoyl)-N-phenylmorpholine-4-carboximidamide has a molecular weight of 288.39 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(C-methyl-N-propan-2-ylcarbonimidoyl)-N-phenylmorpholine-4-carboximidamide is sourced from PubChem (CID 10424218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).