methyl-(2-propylpentylamino)oxyphosphinic acid

C9H22NO3P — CID 174931978

IUPACmethyl-(2-propylpentylamino)oxyphosphinic acid
SMILESCCCC(CCC)CNOP(C)(=O)O
InChIInChI=1S/C9H22NO3P/c1-4-6-9(7-5-2)8-10-13-14(3,11)12/h9-10H,4-8H2,1-3H3,(H,11,12)
InChIKeyKCAWQSFMYLLVAA-UHFFFAOYSA-N
MW223.25 g/mol
LogP2.54
Rot. Bonds8

About methyl-(2-propylpentylamino)oxyphosphinic acid

methyl-(2-propylpentylamino)oxyphosphinic acid (PubChem CID 174931978) has the molecular formula C9H22NO3P and a molecular weight of 223.25 g/mol. Its IUPAC name is methyl-(2-propylpentylamino)oxyphosphinic acid.

Molecular Properties

Compound Namemethyl-(2-propylpentylamino)oxyphosphinic acid
PubChem CID174931978
Molecular FormulaC9H22NO3P
Molecular Weight223.25 g/mol
Exact Mass223.13
IUPAC Namemethyl-(2-propylpentylamino)oxyphosphinic acid
SMILESCCCC(CCC)CNOP(C)(=O)O
InChIInChI=1S/C9H22NO3P/c1-4-6-9(7-5-2)8-10-13-14(3,11)12/h9-10H,4-8H2,1-3H3,(H,11,12)
InChIKeyKCAWQSFMYLLVAA-UHFFFAOYSA-N
XLogP2.54
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[[hydroxy(methyl)phosphoryl]oxyamino]methylphosphonic acid
CID 87853523
2-propylpentylphosphonic acid
CID 172756070
N,2-dipropylpentan-1-amine
CID 62530512
5-propyloctan-2-yl dihydrogen phosphate
CID 87908969
N-(3-methylbuta-1,3-dien-2-yl)-2-propylpentan-1-amine
CID 166712387
di(hexan-3-yl)phosphinic acid
CID 141467079
2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-N-(2-methylpropyl)pentan-1-amine
CID 104566397
heptan-4-yl dihydrogen phosphate
CID 18763997
diheptan-4-yl hydrogen phosphate
CID 22497552
N-[2-(2-chloroethyl)pentyl]-2-(2-methoxyethoxy)acetamide
CID 106117629
bis(2,3-dimethylhexan-2-yl) hydrogen phosphate
CID 175385413
2-(2-ethoxyethyl)-N-methylpentan-1-amine
CID 62530717

Frequently Asked Questions

What is the IUPAC name of methyl-(2-propylpentylamino)oxyphosphinic acid?
The IUPAC name of methyl-(2-propylpentylamino)oxyphosphinic acid (CID 174931978) is methyl-(2-propylpentylamino)oxyphosphinic acid.
What is the SMILES notation for methyl-(2-propylpentylamino)oxyphosphinic acid?
The canonical SMILES for methyl-(2-propylpentylamino)oxyphosphinic acid is CCCC(CCC)CNOP(C)(=O)O.
What is the InChIKey of methyl-(2-propylpentylamino)oxyphosphinic acid?
The InChIKey is KCAWQSFMYLLVAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22NO3P/c1-4-6-9(7-5-2)8-10-13-14(3,11)12/h9-10H,4-8H2,1-3H3,(H,11,12).
What are the key properties of methyl-(2-propylpentylamino)oxyphosphinic acid?
methyl-(2-propylpentylamino)oxyphosphinic acid has a molecular weight of 223.25 g/mol, XLogP of 2.54, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-(2-propylpentylamino)oxyphosphinic acid is sourced from PubChem (CID 174931978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).