1-(butylamino)-3-diethoxyphosphorylpropan-2-ol

C11H26NO4P — CID 129072019

IUPAC1-(butylamino)-3-diethoxyphosphorylpropan-2-ol
SMILESCCCCNCC(O)CP(=O)(OCC)OCC
InChIInChI=1S/C11H26NO4P/c1-4-7-8-12-9-11(13)10-17(14,15-5-2)16-6-3/h11-13H,4-10H2,1-3H3
InChIKeyJVOIZOQKQSGGJH-UHFFFAOYSA-N
MW267.31 g/mol
LogP2.00
Rot. Bonds11

About 1-(butylamino)-3-diethoxyphosphorylpropan-2-ol

1-(butylamino)-3-diethoxyphosphorylpropan-2-ol (PubChem CID 129072019) has the molecular formula C11H26NO4P and a molecular weight of 267.31 g/mol. Its IUPAC name is 1-(butylamino)-3-diethoxyphosphorylpropan-2-ol.

Molecular Properties

Compound Name1-(butylamino)-3-diethoxyphosphorylpropan-2-ol
PubChem CID129072019
Molecular FormulaC11H26NO4P
Molecular Weight267.31 g/mol
Exact Mass267.16
IUPAC Name1-(butylamino)-3-diethoxyphosphorylpropan-2-ol
SMILESCCCCNCC(O)CP(=O)(OCC)OCC
InChIInChI=1S/C11H26NO4P/c1-4-7-8-12-9-11(13)10-17(14,15-5-2)16-6-3/h11-13H,4-10H2,1-3H3
InChIKeyJVOIZOQKQSGGJH-UHFFFAOYSA-N
XLogP2.00
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(butylamino)-3-diethoxyphosphorylpropan-2-ol?
The IUPAC name of 1-(butylamino)-3-diethoxyphosphorylpropan-2-ol (CID 129072019) is 1-(butylamino)-3-diethoxyphosphorylpropan-2-ol.
What is the SMILES notation for 1-(butylamino)-3-diethoxyphosphorylpropan-2-ol?
The canonical SMILES for 1-(butylamino)-3-diethoxyphosphorylpropan-2-ol is CCCCNCC(O)CP(=O)(OCC)OCC.
What is the InChIKey of 1-(butylamino)-3-diethoxyphosphorylpropan-2-ol?
The InChIKey is JVOIZOQKQSGGJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26NO4P/c1-4-7-8-12-9-11(13)10-17(14,15-5-2)16-6-3/h11-13H,4-10H2,1-3H3.
What are the key properties of 1-(butylamino)-3-diethoxyphosphorylpropan-2-ol?
1-(butylamino)-3-diethoxyphosphorylpropan-2-ol has a molecular weight of 267.31 g/mol, XLogP of 2.00, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(butylamino)-3-diethoxyphosphorylpropan-2-ol is sourced from PubChem (CID 129072019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).