cyclohexylidene(diethoxyphosphoryl)methanamine

C11H22NO3P — CID 21082823

IUPACcyclohexylidene(diethoxyphosphoryl)methanamine
SMILESCCOP(=O)(OCC)C(N)=C1CCCCC1
InChIInChI=1S/C11H22NO3P/c1-3-14-16(13,15-4-2)11(12)10-8-6-5-7-9-10/h3-9,12H2,1-2H3
InChIKeyVMTSLUNSABQUGG-UHFFFAOYSA-N
MW247.27 g/mol
LogP3.39
Rot. Bonds5

About cyclohexylidene(diethoxyphosphoryl)methanamine

cyclohexylidene(diethoxyphosphoryl)methanamine (PubChem CID 21082823) has the molecular formula C11H22NO3P and a molecular weight of 247.27 g/mol. Its IUPAC name is cyclohexylidene(diethoxyphosphoryl)methanamine.

Molecular Properties

Compound Namecyclohexylidene(diethoxyphosphoryl)methanamine
PubChem CID21082823
Molecular FormulaC11H22NO3P
Molecular Weight247.27 g/mol
Exact Mass247.13
IUPAC Namecyclohexylidene(diethoxyphosphoryl)methanamine
SMILESCCOP(=O)(OCC)C(N)=C1CCCCC1
InChIInChI=1S/C11H22NO3P/c1-3-14-16(13,15-4-2)11(12)10-8-6-5-7-9-10/h3-9,12H2,1-2H3
InChIKeyVMTSLUNSABQUGG-UHFFFAOYSA-N
XLogP3.39
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.27
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyclohexylidene(diethoxyphosphoryl)methanamine?
The IUPAC name of cyclohexylidene(diethoxyphosphoryl)methanamine (CID 21082823) is cyclohexylidene(diethoxyphosphoryl)methanamine.
What is the SMILES notation for cyclohexylidene(diethoxyphosphoryl)methanamine?
The canonical SMILES for cyclohexylidene(diethoxyphosphoryl)methanamine is CCOP(=O)(OCC)C(N)=C1CCCCC1.
What is the InChIKey of cyclohexylidene(diethoxyphosphoryl)methanamine?
The InChIKey is VMTSLUNSABQUGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22NO3P/c1-3-14-16(13,15-4-2)11(12)10-8-6-5-7-9-10/h3-9,12H2,1-2H3.
What are the key properties of cyclohexylidene(diethoxyphosphoryl)methanamine?
cyclohexylidene(diethoxyphosphoryl)methanamine has a molecular weight of 247.27 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexylidene(diethoxyphosphoryl)methanamine is sourced from PubChem (CID 21082823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).