2-aminoethyl methyl pentyl phosphite

C8H20NO3P — CID 121360458

IUPAC2-aminoethyl methyl pentyl phosphite
SMILESCCCCCOP(OC)OCCN
InChIInChI=1S/C8H20NO3P/c1-3-4-5-7-11-13(10-2)12-8-6-9/h3-9H2,1-2H3
InChIKeyXYUSDCQJPUZDMW-UHFFFAOYSA-N
MW209.23 g/mol
LogP2.04
Rot. Bonds9

About 2-aminoethyl methyl pentyl phosphite

2-aminoethyl methyl pentyl phosphite (PubChem CID 121360458) has the molecular formula C8H20NO3P and a molecular weight of 209.23 g/mol. Its IUPAC name is 2-aminoethyl methyl pentyl phosphite.

Molecular Properties

Compound Name2-aminoethyl methyl pentyl phosphite
PubChem CID121360458
Molecular FormulaC8H20NO3P
Molecular Weight209.23 g/mol
Exact Mass209.12
IUPAC Name2-aminoethyl methyl pentyl phosphite
SMILESCCCCCOP(OC)OCCN
InChIInChI=1S/C8H20NO3P/c1-3-4-5-7-11-13(10-2)12-8-6-9/h3-9H2,1-2H3
InChIKeyXYUSDCQJPUZDMW-UHFFFAOYSA-N
XLogP2.04
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.23
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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chlororuthenium;tris(tributyl phosphite)
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2-aminoethyl dodecyl sulfate
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Frequently Asked Questions

What is the IUPAC name of 2-aminoethyl methyl pentyl phosphite?
The IUPAC name of 2-aminoethyl methyl pentyl phosphite (CID 121360458) is 2-aminoethyl methyl pentyl phosphite.
What is the SMILES notation for 2-aminoethyl methyl pentyl phosphite?
The canonical SMILES for 2-aminoethyl methyl pentyl phosphite is CCCCCOP(OC)OCCN.
What is the InChIKey of 2-aminoethyl methyl pentyl phosphite?
The InChIKey is XYUSDCQJPUZDMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20NO3P/c1-3-4-5-7-11-13(10-2)12-8-6-9/h3-9H2,1-2H3.
What are the key properties of 2-aminoethyl methyl pentyl phosphite?
2-aminoethyl methyl pentyl phosphite has a molecular weight of 209.23 g/mol, XLogP of 2.04, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoethyl methyl pentyl phosphite is sourced from PubChem (CID 121360458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).