1-[amino(butoxy)phosphoryl]oxy-2,2-dimethylpropane

C9H22NO3P — CID 146414933

IUPAC1-[amino(butoxy)phosphoryl]oxy-2,2-dimethylpropane
SMILESCCCCOP(N)(=O)OCC(C)(C)C
InChIInChI=1S/C9H22NO3P/c1-5-6-7-12-14(10,11)13-8-9(2,3)4/h5-8H2,1-4H3,(H2,10,11)
InChIKeyPMBUJTDUEHWORI-UHFFFAOYSA-N
MW223.25 g/mol
LogP2.93
Rot. Bonds6

About 1-[amino(butoxy)phosphoryl]oxy-2,2-dimethylpropane

1-[amino(butoxy)phosphoryl]oxy-2,2-dimethylpropane (PubChem CID 146414933) has the molecular formula C9H22NO3P and a molecular weight of 223.25 g/mol. Its IUPAC name is 1-[amino(butoxy)phosphoryl]oxy-2,2-dimethylpropane.

Molecular Properties

Compound Name1-[amino(butoxy)phosphoryl]oxy-2,2-dimethylpropane
PubChem CID146414933
Molecular FormulaC9H22NO3P
Molecular Weight223.25 g/mol
Exact Mass223.13
IUPAC Name1-[amino(butoxy)phosphoryl]oxy-2,2-dimethylpropane
SMILESCCCCOP(N)(=O)OCC(C)(C)C
InChIInChI=1S/C9H22NO3P/c1-5-6-7-12-14(10,11)13-8-9(2,3)4/h5-8H2,1-4H3,(H2,10,11)
InChIKeyPMBUJTDUEHWORI-UHFFFAOYSA-N
XLogP2.93
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

1-[butyl(2,2-dimethylpropoxy)phosphoryl]oxyheptadecane
CID 91716431
1-[tert-butyl(methyl)phosphoryl]oxybutane
CID 89041281
butoxy(tert-butyl)phosphinic acid
CID 15271226
terbium;tributyl phosphate
CID 90187591
tributyl phosphate;trihydrochloride
CID 173157313
europium;tributyl phosphate
CID 90187569
1-[2,2-dimethylpropoxy(propyl)phosphoryl]oxy-2,2-dimethylpropane
CID 14898577
1-dichlorophosphoryloxyoctadecane
CID 88757359
1-[butyl(2,2,2-trifluoroethyl)phosphoryl]oxybutane
CID 87128383
butoxyphosphonamidic acid;guanidine
CID 175407488
1-[butoxy((114C)methyl)(14C)phosphoryl]oxybutane
CID 12777600
dibutyl hydrogen phosphate
CID 158586372

Frequently Asked Questions

What is the IUPAC name of 1-[amino(butoxy)phosphoryl]oxy-2,2-dimethylpropane?
The IUPAC name of 1-[amino(butoxy)phosphoryl]oxy-2,2-dimethylpropane (CID 146414933) is 1-[amino(butoxy)phosphoryl]oxy-2,2-dimethylpropane.
What is the SMILES notation for 1-[amino(butoxy)phosphoryl]oxy-2,2-dimethylpropane?
The canonical SMILES for 1-[amino(butoxy)phosphoryl]oxy-2,2-dimethylpropane is CCCCOP(N)(=O)OCC(C)(C)C.
What is the InChIKey of 1-[amino(butoxy)phosphoryl]oxy-2,2-dimethylpropane?
The InChIKey is PMBUJTDUEHWORI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22NO3P/c1-5-6-7-12-14(10,11)13-8-9(2,3)4/h5-8H2,1-4H3,(H2,10,11).
What are the key properties of 1-[amino(butoxy)phosphoryl]oxy-2,2-dimethylpropane?
1-[amino(butoxy)phosphoryl]oxy-2,2-dimethylpropane has a molecular weight of 223.25 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[amino(butoxy)phosphoryl]oxy-2,2-dimethylpropane is sourced from PubChem (CID 146414933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).