bis(2-aminoethyl) butyl phosphate

C8H21N2O4P — CID 3023662

IUPACbis(2-aminoethyl) butyl phosphate
SMILESCCCCOP(=O)(OCCN)OCCN
InChIInChI=1S/C8H21N2O4P/c1-2-3-6-12-15(11,13-7-4-9)14-8-5-10/h2-10H2,1H3
InChIKeyISCNHRMGTBRNNW-UHFFFAOYSA-N
MW240.24 g/mol
LogP0.86
Rot. Bonds10

About bis(2-aminoethyl) butyl phosphate

bis(2-aminoethyl) butyl phosphate (PubChem CID 3023662) has the molecular formula C8H21N2O4P and a molecular weight of 240.24 g/mol. Its IUPAC name is bis(2-aminoethyl) butyl phosphate.

Molecular Properties

Compound Namebis(2-aminoethyl) butyl phosphate
PubChem CID3023662
Molecular FormulaC8H21N2O4P
Molecular Weight240.24 g/mol
Exact Mass240.12
IUPAC Namebis(2-aminoethyl) butyl phosphate
SMILESCCCCOP(=O)(OCCN)OCCN
InChIInChI=1S/C8H21N2O4P/c1-2-3-6-12-15(11,13-7-4-9)14-8-5-10/h2-10H2,1H3
InChIKeyISCNHRMGTBRNNW-UHFFFAOYSA-N
XLogP0.86
TPSA96.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.24
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

terbium;tributyl phosphate
CID 90187591
tributyl phosphate;trihydrochloride
CID 173157313
europium;tributyl phosphate
CID 90187569
benzene;tributyl phosphate
CID 69440959
dibutyl decyl phosphate
CID 19784867
butyl dihexyl phosphate
CID 22497695
dodecyl dioctyl phosphate
CID 57134013
diheptyl hexyl phosphate
CID 175578950
diheptyl propyl phosphate
CID 22497721
alumane;trioctyl phosphate
CID 175071420
methane;trioctyl phosphate
CID 174464331
potassium tris-decyl phosphate
CID 21118666

Frequently Asked Questions

What is the IUPAC name of bis(2-aminoethyl) butyl phosphate?
The IUPAC name of bis(2-aminoethyl) butyl phosphate (CID 3023662) is bis(2-aminoethyl) butyl phosphate.
What is the SMILES notation for bis(2-aminoethyl) butyl phosphate?
The canonical SMILES for bis(2-aminoethyl) butyl phosphate is CCCCOP(=O)(OCCN)OCCN.
What is the InChIKey of bis(2-aminoethyl) butyl phosphate?
The InChIKey is ISCNHRMGTBRNNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H21N2O4P/c1-2-3-6-12-15(11,13-7-4-9)14-8-5-10/h2-10H2,1H3.
What are the key properties of bis(2-aminoethyl) butyl phosphate?
bis(2-aminoethyl) butyl phosphate has a molecular weight of 240.24 g/mol, XLogP of 0.86, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-aminoethyl) butyl phosphate is sourced from PubChem (CID 3023662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).