N'-benzyl-N-cyclohexyl-1-dimethoxyphosphorylmethanimidamide

C16H25N2O3P — CID 138972672

IUPACN'-benzyl-N-cyclohexyl-1-dimethoxyphosphorylmethanimidamide
SMILESCOP(=O)(OC)/C(=N\Cc1ccccc1)NC1CCCCC1
InChIInChI=1S/C16H25N2O3P/c1-20-22(19,21-2)16(18-15-11-7-4-8-12-15)17-13-14-9-5-3-6-10-14/h3,5-6,9-10,15H,4,7-8,11-13H2,1-2H3,(H,17,18)
InChIKeyQTFHAVFDYVZBGO-UHFFFAOYSA-N
MW324.36 g/mol
LogP3.95
Rot. Bonds6

About N'-benzyl-N-cyclohexyl-1-dimethoxyphosphorylmethanimidamide

N'-benzyl-N-cyclohexyl-1-dimethoxyphosphorylmethanimidamide (PubChem CID 138972672) has the molecular formula C16H25N2O3P and a molecular weight of 324.36 g/mol. Its IUPAC name is N'-benzyl-N-cyclohexyl-1-dimethoxyphosphorylmethanimidamide.

Molecular Properties

Compound NameN'-benzyl-N-cyclohexyl-1-dimethoxyphosphorylmethanimidamide
PubChem CID138972672
Molecular FormulaC16H25N2O3P
Molecular Weight324.36 g/mol
Exact Mass324.16
IUPAC NameN'-benzyl-N-cyclohexyl-1-dimethoxyphosphorylmethanimidamide
SMILESCOP(=O)(OC)/C(=N\Cc1ccccc1)NC1CCCCC1
InChIInChI=1S/C16H25N2O3P/c1-20-22(19,21-2)16(18-15-11-7-4-8-12-15)17-13-14-9-5-3-6-10-14/h3,5-6,9-10,15H,4,7-8,11-13H2,1-2H3,(H,17,18)
InChIKeyQTFHAVFDYVZBGO-UHFFFAOYSA-N
XLogP3.95
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N-cyclohexyl-1-dimethoxyphosphorylmethanimidamide?
The IUPAC name of N'-benzyl-N-cyclohexyl-1-dimethoxyphosphorylmethanimidamide (CID 138972672) is N'-benzyl-N-cyclohexyl-1-dimethoxyphosphorylmethanimidamide.
What is the SMILES notation for N'-benzyl-N-cyclohexyl-1-dimethoxyphosphorylmethanimidamide?
The canonical SMILES for N'-benzyl-N-cyclohexyl-1-dimethoxyphosphorylmethanimidamide is COP(=O)(OC)/C(=N\Cc1ccccc1)NC1CCCCC1.
What is the InChIKey of N'-benzyl-N-cyclohexyl-1-dimethoxyphosphorylmethanimidamide?
The InChIKey is QTFHAVFDYVZBGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N2O3P/c1-20-22(19,21-2)16(18-15-11-7-4-8-12-15)17-13-14-9-5-3-6-10-14/h3,5-6,9-10,15H,4,7-8,11-13H2,1-2H3,(H,17,18).
What are the key properties of N'-benzyl-N-cyclohexyl-1-dimethoxyphosphorylmethanimidamide?
N'-benzyl-N-cyclohexyl-1-dimethoxyphosphorylmethanimidamide has a molecular weight of 324.36 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N-cyclohexyl-1-dimethoxyphosphorylmethanimidamide is sourced from PubChem (CID 138972672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).