(cyclohexylamino)methyl-ethoxyphosphinic acid

C9H20NO3P — CID 88509490

IUPAC(cyclohexylamino)methyl-ethoxyphosphinic acid
SMILESCCOP(=O)(O)CNC1CCCCC1
InChIInChI=1S/C9H20NO3P/c1-2-13-14(11,12)8-10-9-6-4-3-5-7-9/h9-10H,2-8H2,1H3,(H,11,12)
InChIKeyZMNKUCYJPSBWTG-UHFFFAOYSA-N
MW221.24 g/mol
LogP2.09
Rot. Bonds5

About (cyclohexylamino)methyl-ethoxyphosphinic acid

(cyclohexylamino)methyl-ethoxyphosphinic acid (PubChem CID 88509490) has the molecular formula C9H20NO3P and a molecular weight of 221.24 g/mol. Its IUPAC name is (cyclohexylamino)methyl-ethoxyphosphinic acid.

Molecular Properties

Compound Name(cyclohexylamino)methyl-ethoxyphosphinic acid
PubChem CID88509490
Molecular FormulaC9H20NO3P
Molecular Weight221.24 g/mol
Exact Mass221.12
IUPAC Name(cyclohexylamino)methyl-ethoxyphosphinic acid
SMILESCCOP(=O)(O)CNC1CCCCC1
InChIInChI=1S/C9H20NO3P/c1-2-13-14(11,12)8-10-9-6-4-3-5-7-9/h9-10H,2-8H2,1H3,(H,11,12)
InChIKeyZMNKUCYJPSBWTG-UHFFFAOYSA-N
XLogP2.09
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.24
LogP ≤ 52.09
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

N-diethoxyphosphorylcyclopentanamine
CID 14195307
ethoxy(methylaminomethyl)phosphinic acid
CID 88509213
N-cyclohexyl-2-diethoxyphosphorylacetamide
CID 88915385
4-(cyclohexylamino)butyl-methoxyphosphinic acid
CID 155661244
acetamidomethyl(ethoxy)phosphinic acid
CID 14132628
N-[(E)-2-diethoxyphosphorylethenyl]cyclohexanamine
CID 5364903
[cyclohexyl(ethoxy)phosphoryl]cyclohexane;[cyclopentyl(ethoxy)phosphoryl]cyclopentane
CID 87645373
N-propylcyclohexanamine;sulfuric acid
CID 22994805
N-ethylcyclodecanamine
CID 148546213
N-ethylcyclooctanamine
CID 13112621
N-ethylcyclohexanamine;hydroxylamine
CID 142330095
azane;N-propylcyclohexanamine
CID 19368218

Frequently Asked Questions

What is the IUPAC name of (cyclohexylamino)methyl-ethoxyphosphinic acid?
The IUPAC name of (cyclohexylamino)methyl-ethoxyphosphinic acid (CID 88509490) is (cyclohexylamino)methyl-ethoxyphosphinic acid.
What is the SMILES notation for (cyclohexylamino)methyl-ethoxyphosphinic acid?
The canonical SMILES for (cyclohexylamino)methyl-ethoxyphosphinic acid is CCOP(=O)(O)CNC1CCCCC1.
What is the InChIKey of (cyclohexylamino)methyl-ethoxyphosphinic acid?
The InChIKey is ZMNKUCYJPSBWTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20NO3P/c1-2-13-14(11,12)8-10-9-6-4-3-5-7-9/h9-10H,2-8H2,1H3,(H,11,12).
What are the key properties of (cyclohexylamino)methyl-ethoxyphosphinic acid?
(cyclohexylamino)methyl-ethoxyphosphinic acid has a molecular weight of 221.24 g/mol, XLogP of 2.09, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (cyclohexylamino)methyl-ethoxyphosphinic acid is sourced from PubChem (CID 88509490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).