2-[amino(propan-2-yloxy)phosphoryl]oxypentane

C8H20NO3P — CID 174170604

IUPAC2-[amino(propan-2-yloxy)phosphoryl]oxypentane
SMILESCCCC(C)OP(N)(=O)OC(C)C
InChIInChI=1S/C8H20NO3P/c1-5-6-8(4)12-13(9,10)11-7(2)3/h7-8H,5-6H2,1-4H3,(H2,9,10)
InChIKeyFTSUEKPAQAUAMO-UHFFFAOYSA-N
MW209.23 g/mol
LogP2.68
Rot. Bonds6

About 2-[amino(propan-2-yloxy)phosphoryl]oxypentane

2-[amino(propan-2-yloxy)phosphoryl]oxypentane (PubChem CID 174170604) has the molecular formula C8H20NO3P and a molecular weight of 209.23 g/mol. Its IUPAC name is 2-[amino(propan-2-yloxy)phosphoryl]oxypentane.

Molecular Properties

Compound Name2-[amino(propan-2-yloxy)phosphoryl]oxypentane
PubChem CID174170604
Molecular FormulaC8H20NO3P
Molecular Weight209.23 g/mol
Exact Mass209.12
IUPAC Name2-[amino(propan-2-yloxy)phosphoryl]oxypentane
SMILESCCCC(C)OP(N)(=O)OC(C)C
InChIInChI=1S/C8H20NO3P/c1-5-6-8(4)12-13(9,10)11-7(2)3/h7-8H,5-6H2,1-4H3,(H2,9,10)
InChIKeyFTSUEKPAQAUAMO-UHFFFAOYSA-N
XLogP2.68
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.23
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl pentan-2-yl hydrogen phosphate
CID 138486874
tert-butyl(pentan-2-yloxy)phosphinic acid
CID 71328132
5-propyloctan-2-yl dihydrogen phosphate
CID 87908969
dihexan-2-yl phosphate;zinc
CID 140567710
8-[amino(butoxy)phosphoryl]oxy-1-[amino(pentan-3-yloxy)phosphoryl]oxynonane
CID 178039974
dioctan-2-yl phosphate;iron(2+)
CID 157379729
tris(dioctan-2-yl phosphate);neodymium(3+)
CID 22237881
dipropan-2-yl 1-tributylstannylhexyl phosphate
CID 15306679
1-di(propan-2-yloxy)phosphoryltetracosane
CID 23336035
chloro-ethyl-pentan-2-yloxy-sulfanylidene-λ5-phosphane
CID 57021571
ethoxy-pentan-2-yloxy-sulfanyl-sulfanylidene-λ5-phosphane
CID 23331140
butan-2-yl dipropan-2-yl phosphate
CID 71379379

Frequently Asked Questions

What is the IUPAC name of 2-[amino(propan-2-yloxy)phosphoryl]oxypentane?
The IUPAC name of 2-[amino(propan-2-yloxy)phosphoryl]oxypentane (CID 174170604) is 2-[amino(propan-2-yloxy)phosphoryl]oxypentane.
What is the SMILES notation for 2-[amino(propan-2-yloxy)phosphoryl]oxypentane?
The canonical SMILES for 2-[amino(propan-2-yloxy)phosphoryl]oxypentane is CCCC(C)OP(N)(=O)OC(C)C.
What is the InChIKey of 2-[amino(propan-2-yloxy)phosphoryl]oxypentane?
The InChIKey is FTSUEKPAQAUAMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20NO3P/c1-5-6-8(4)12-13(9,10)11-7(2)3/h7-8H,5-6H2,1-4H3,(H2,9,10).
What are the key properties of 2-[amino(propan-2-yloxy)phosphoryl]oxypentane?
2-[amino(propan-2-yloxy)phosphoryl]oxypentane has a molecular weight of 209.23 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[amino(propan-2-yloxy)phosphoryl]oxypentane is sourced from PubChem (CID 174170604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).