cyclopentylazanium;methyl-dioxido-oxo-λ5-phosphane

C11H27N2O3P — CID 86741453

IUPACcyclopentylazanium;methyl-dioxido-oxo-λ5-phosphane
SMILESCP(=O)([O-])[O-].[NH3+]C1CCCC1.[NH3+]C1CCCC1
InChIInChI=1S/2C5H11N.CH5O3P/c2*6-5-3-1-2-4-5;1-5(2,3)4/h2*5H,1-4,6H2;1H3,(H2,2,3,4)
InChIKeyXRIWPCKIKNZSIY-UHFFFAOYSA-N
MW266.32 g/mol
LogP-1.13
Rot. Bonds

About cyclopentylazanium;methyl-dioxido-oxo-λ5-phosphane

cyclopentylazanium;methyl-dioxido-oxo-λ5-phosphane (PubChem CID 86741453) has the molecular formula C11H27N2O3P and a molecular weight of 266.32 g/mol. Its IUPAC name is cyclopentylazanium;methyl-dioxido-oxo-λ5-phosphane.

Molecular Properties

Compound Namecyclopentylazanium;methyl-dioxido-oxo-λ5-phosphane
PubChem CID86741453
Molecular FormulaC11H27N2O3P
Molecular Weight266.32 g/mol
Exact Mass266.18
IUPAC Namecyclopentylazanium;methyl-dioxido-oxo-λ5-phosphane
SMILESCP(=O)([O-])[O-].[NH3+]C1CCCC1.[NH3+]C1CCCC1
InChIInChI=1S/2C5H11N.CH5O3P/c2*6-5-3-1-2-4-5;1-5(2,3)4/h2*5H,1-4,6H2;1H3,(H2,2,3,4)
InChIKeyXRIWPCKIKNZSIY-UHFFFAOYSA-N
XLogP-1.13
TPSA118.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 5-1.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

cyclohexylazanium;carbonate
CID 15793122
N-bis(cyclohexylamino)phosphorylcyclohexanamine;cyclohexylazanium;acetate
CID 139084006
aminoazanium;cyclohexylazanium
CID 21317022
calcium methyl-dioxido-oxo-λ5-phosphane
CID 59434200
cyclohexylazanium;2,2,2-trifluoroacetate
CID 69179131
dicalcium;methane;bis(methyl-dioxido-oxo-λ5-phosphane)
CID 160609044
cyclopropylazanium dichloride
CID 173255049
tris(cyclododecyl(trimethyl)azanium);phosphate
CID 175529097
[chloro(methyl)phosphoryl]oxycyclopentane
CID 170850792
cyclohexylazanium;[(2R,3R,4R)-2,3,4,5-tetrahydroxypentanoyl] hydrogen phosphate
CID 91873738
cyclohexylazanium;2,3,4,5-tetrahydroxy-6-phosphonatooxyhexanoate
CID 167996574
cyclohexane-1,2-diamine;hydron;platinum(2+);phosphate
CID 3049901

Frequently Asked Questions

What is the IUPAC name of cyclopentylazanium;methyl-dioxido-oxo-λ5-phosphane?
The IUPAC name of cyclopentylazanium;methyl-dioxido-oxo-λ5-phosphane (CID 86741453) is cyclopentylazanium;methyl-dioxido-oxo-λ5-phosphane.
What is the SMILES notation for cyclopentylazanium;methyl-dioxido-oxo-λ5-phosphane?
The canonical SMILES for cyclopentylazanium;methyl-dioxido-oxo-λ5-phosphane is CP(=O)([O-])[O-].[NH3+]C1CCCC1.[NH3+]C1CCCC1.
What is the InChIKey of cyclopentylazanium;methyl-dioxido-oxo-λ5-phosphane?
The InChIKey is XRIWPCKIKNZSIY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H11N.CH5O3P/c2*6-5-3-1-2-4-5;1-5(2,3)4/h2*5H,1-4,6H2;1H3,(H2,2,3,4).
What are the key properties of cyclopentylazanium;methyl-dioxido-oxo-λ5-phosphane?
cyclopentylazanium;methyl-dioxido-oxo-λ5-phosphane has a molecular weight of 266.32 g/mol, XLogP of -1.13, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentylazanium;methyl-dioxido-oxo-λ5-phosphane is sourced from PubChem (CID 86741453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).