butoxy-N-(2-methylbutan-2-yl)phosphonamidic acid

C9H22NO3P — CID 146414788

IUPACbutoxy-N-(2-methylbutan-2-yl)phosphonamidic acid
SMILESCCCCOP(=O)(O)NC(C)(C)CC
InChIInChI=1S/C9H22NO3P/c1-5-7-8-13-14(11,12)10-9(3,4)6-2/h5-8H2,1-4H3,(H2,10,11,12)
InChIKeyKMDSJJRVPLZZAT-UHFFFAOYSA-N
MW223.25 g/mol
LogP2.68
Rot. Bonds7

About butoxy-N-(2-methylbutan-2-yl)phosphonamidic acid

butoxy-N-(2-methylbutan-2-yl)phosphonamidic acid (PubChem CID 146414788) has the molecular formula C9H22NO3P and a molecular weight of 223.25 g/mol. Its IUPAC name is butoxy-N-(2-methylbutan-2-yl)phosphonamidic acid.

Molecular Properties

Compound Namebutoxy-N-(2-methylbutan-2-yl)phosphonamidic acid
PubChem CID146414788
Molecular FormulaC9H22NO3P
Molecular Weight223.25 g/mol
Exact Mass223.13
IUPAC Namebutoxy-N-(2-methylbutan-2-yl)phosphonamidic acid
SMILESCCCCOP(=O)(O)NC(C)(C)CC
InChIInChI=1S/C9H22NO3P/c1-5-7-8-13-14(11,12)10-9(3,4)6-2/h5-8H2,1-4H3,(H2,10,11,12)
InChIKeyKMDSJJRVPLZZAT-UHFFFAOYSA-N
XLogP2.68
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

butoxy-N-propan-2-ylphosphonamidic acid
CID 146414796
azane;butyl dihydrogen phosphate
CID 173333807
butoxy(tert-butyl)phosphinic acid
CID 15271226
azane;butyl dihydrogen phosphate;hydrochloride
CID 146307960
dibutyl hydrogen phosphate
CID 158586372
butyl dihydrogen phosphate;2-methylprop-1-ene
CID 162187619
octatriacontyl dihydrogen phosphate
CID 140979287
lithium;dibutyl hydrogen phosphate;hydride
CID 174759631
butoxy(ethyl)phosphinic acid
CID 71353007
heptyl dihydrogen phosphate;octyl dihydrogen phosphate
CID 160757103
pentatriacontyl dihydrogen phosphate
CID 164897229
hexadecyl dihydrogen phosphate;tetradecyl dihydrogen phosphate
CID 159430233

Frequently Asked Questions

What is the IUPAC name of butoxy-N-(2-methylbutan-2-yl)phosphonamidic acid?
The IUPAC name of butoxy-N-(2-methylbutan-2-yl)phosphonamidic acid (CID 146414788) is butoxy-N-(2-methylbutan-2-yl)phosphonamidic acid.
What is the SMILES notation for butoxy-N-(2-methylbutan-2-yl)phosphonamidic acid?
The canonical SMILES for butoxy-N-(2-methylbutan-2-yl)phosphonamidic acid is CCCCOP(=O)(O)NC(C)(C)CC.
What is the InChIKey of butoxy-N-(2-methylbutan-2-yl)phosphonamidic acid?
The InChIKey is KMDSJJRVPLZZAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22NO3P/c1-5-7-8-13-14(11,12)10-9(3,4)6-2/h5-8H2,1-4H3,(H2,10,11,12).
What are the key properties of butoxy-N-(2-methylbutan-2-yl)phosphonamidic acid?
butoxy-N-(2-methylbutan-2-yl)phosphonamidic acid has a molecular weight of 223.25 g/mol, XLogP of 2.68, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butoxy-N-(2-methylbutan-2-yl)phosphonamidic acid is sourced from PubChem (CID 146414788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).