1-[amino(propoxy)phosphoryl]oxypropane

C6H16NO3P — CID 566773

IUPAC1-[amino(propoxy)phosphoryl]oxypropane
SMILESCCCOP(N)(=O)OCCC
InChIInChI=1S/C6H16NO3P/c1-3-5-9-11(7,8)10-6-4-2/h3-6H2,1-2H3,(H2,7,8)
InChIKeyUAEJHSJCCBUAAP-UHFFFAOYSA-N
MW181.17 g/mol
LogP1.91
Rot. Bonds6

About 1-[amino(propoxy)phosphoryl]oxypropane

1-[amino(propoxy)phosphoryl]oxypropane (PubChem CID 566773) has the molecular formula C6H16NO3P and a molecular weight of 181.17 g/mol. Its IUPAC name is 1-[amino(propoxy)phosphoryl]oxypropane.

Molecular Properties

Compound Name1-[amino(propoxy)phosphoryl]oxypropane
PubChem CID566773
Molecular FormulaC6H16NO3P
Molecular Weight181.17 g/mol
Exact Mass181.09
IUPAC Name1-[amino(propoxy)phosphoryl]oxypropane
SMILESCCCOP(N)(=O)OCCC
InChIInChI=1S/C6H16NO3P/c1-3-5-9-11(7,8)10-6-4-2/h3-6H2,1-2H3,(H2,7,8)
InChIKeyUAEJHSJCCBUAAP-UHFFFAOYSA-N
XLogP1.91
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.17
LogP ≤ 51.91
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 1-[amino(propoxy)phosphoryl]oxypropane?
The IUPAC name of 1-[amino(propoxy)phosphoryl]oxypropane (CID 566773) is 1-[amino(propoxy)phosphoryl]oxypropane.
What is the SMILES notation for 1-[amino(propoxy)phosphoryl]oxypropane?
The canonical SMILES for 1-[amino(propoxy)phosphoryl]oxypropane is CCCOP(N)(=O)OCCC.
What is the InChIKey of 1-[amino(propoxy)phosphoryl]oxypropane?
The InChIKey is UAEJHSJCCBUAAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16NO3P/c1-3-5-9-11(7,8)10-6-4-2/h3-6H2,1-2H3,(H2,7,8).
What are the key properties of 1-[amino(propoxy)phosphoryl]oxypropane?
1-[amino(propoxy)phosphoryl]oxypropane has a molecular weight of 181.17 g/mol, XLogP of 1.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[amino(propoxy)phosphoryl]oxypropane is sourced from PubChem (CID 566773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).