2-[(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)amino]ethanol

C7H16NO3P — CID 143722470

IUPAC2-[(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)amino]ethanol
SMILESCC1(C)COP(NCCO)OC1
InChIInChI=1S/C7H16NO3P/c1-7(2)5-10-12(11-6-7)8-3-4-9/h8-9H,3-6H2,1-2H3
InChIKeyZEWSMHOZWGDVMN-UHFFFAOYSA-N
MW193.18 g/mol
LogP0.87
Rot. Bonds3

About 2-[(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)amino]ethanol

2-[(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)amino]ethanol (PubChem CID 143722470) has the molecular formula C7H16NO3P and a molecular weight of 193.18 g/mol. Its IUPAC name is 2-[(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)amino]ethanol.

Molecular Properties

Compound Name2-[(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)amino]ethanol
PubChem CID143722470
Molecular FormulaC7H16NO3P
Molecular Weight193.18 g/mol
Exact Mass193.09
IUPAC Name2-[(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)amino]ethanol
SMILESCC1(C)COP(NCCO)OC1
InChIInChI=1S/C7H16NO3P/c1-7(2)5-10-12(11-6-7)8-3-4-9/h8-9H,3-6H2,1-2H3
InChIKeyZEWSMHOZWGDVMN-UHFFFAOYSA-N
XLogP0.87
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.18
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)amino]ethanol?
The IUPAC name of 2-[(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)amino]ethanol (CID 143722470) is 2-[(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)amino]ethanol.
What is the SMILES notation for 2-[(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)amino]ethanol?
The canonical SMILES for 2-[(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)amino]ethanol is CC1(C)COP(NCCO)OC1.
What is the InChIKey of 2-[(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)amino]ethanol?
The InChIKey is ZEWSMHOZWGDVMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16NO3P/c1-7(2)5-10-12(11-6-7)8-3-4-9/h8-9H,3-6H2,1-2H3.
What are the key properties of 2-[(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)amino]ethanol?
2-[(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)amino]ethanol has a molecular weight of 193.18 g/mol, XLogP of 0.87, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)amino]ethanol is sourced from PubChem (CID 143722470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).