(propan-2-ylamino)-propan-2-yloxyphosphinate

C6H15NO3P- — CID 162475270

IUPAC(propan-2-ylamino)-propan-2-yloxyphosphinate
SMILESCC(C)NP(=O)([O-])OC(C)C
InChIInChI=1S/C6H16NO3P/c1-5(2)7-11(8,9)10-6(3)4/h5-6H,1-4H3,(H2,7,8,9)/p-1
InChIKeyBUAWUPHXBVXOQT-UHFFFAOYSA-M
MW180.16 g/mol
LogP0.88
Rot. Bonds4

About (propan-2-ylamino)-propan-2-yloxyphosphinate

(propan-2-ylamino)-propan-2-yloxyphosphinate (PubChem CID 162475270) has the molecular formula C6H15NO3P- and a molecular weight of 180.16 g/mol. Its IUPAC name is (propan-2-ylamino)-propan-2-yloxyphosphinate.

Molecular Properties

Compound Name(propan-2-ylamino)-propan-2-yloxyphosphinate
PubChem CID162475270
Molecular FormulaC6H15NO3P-
Molecular Weight180.16 g/mol
Exact Mass180.08
IUPAC Name(propan-2-ylamino)-propan-2-yloxyphosphinate
SMILESCC(C)NP(=O)([O-])OC(C)C
InChIInChI=1S/C6H16NO3P/c1-5(2)7-11(8,9)10-6(3)4/h5-6H,1-4H3,(H2,7,8,9)/p-1
InChIKeyBUAWUPHXBVXOQT-UHFFFAOYSA-M
XLogP0.88
TPSA61.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.16
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (propan-2-ylamino)-propan-2-yloxyphosphinate?
The IUPAC name of (propan-2-ylamino)-propan-2-yloxyphosphinate (CID 162475270) is (propan-2-ylamino)-propan-2-yloxyphosphinate.
What is the SMILES notation for (propan-2-ylamino)-propan-2-yloxyphosphinate?
The canonical SMILES for (propan-2-ylamino)-propan-2-yloxyphosphinate is CC(C)NP(=O)([O-])OC(C)C.
What is the InChIKey of (propan-2-ylamino)-propan-2-yloxyphosphinate?
The InChIKey is BUAWUPHXBVXOQT-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H16NO3P/c1-5(2)7-11(8,9)10-6(3)4/h5-6H,1-4H3,(H2,7,8,9)/p-1.
What are the key properties of (propan-2-ylamino)-propan-2-yloxyphosphinate?
(propan-2-ylamino)-propan-2-yloxyphosphinate has a molecular weight of 180.16 g/mol, XLogP of 0.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (propan-2-ylamino)-propan-2-yloxyphosphinate is sourced from PubChem (CID 162475270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).