3-diethoxyphosphorylcyclobutan-1-amine

C8H18NO3P — CID 10727016

IUPAC3-diethoxyphosphorylcyclobutan-1-amine
SMILESCCOP(=O)(OCC)C1CC(N)C1
InChIInChI=1S/C8H18NO3P/c1-3-11-13(10,12-4-2)8-5-7(9)6-8/h7-8H,3-6,9H2,1-2H3
InChIKeyZWOXJGYXOLPDOK-UHFFFAOYSA-N
MW207.21 g/mol
LogP1.74
Rot. Bonds5

About 3-diethoxyphosphorylcyclobutan-1-amine

3-diethoxyphosphorylcyclobutan-1-amine (PubChem CID 10727016) has the molecular formula C8H18NO3P and a molecular weight of 207.21 g/mol. Its IUPAC name is 3-diethoxyphosphorylcyclobutan-1-amine.

Molecular Properties

Compound Name3-diethoxyphosphorylcyclobutan-1-amine
PubChem CID10727016
Molecular FormulaC8H18NO3P
Molecular Weight207.21 g/mol
Exact Mass207.10
IUPAC Name3-diethoxyphosphorylcyclobutan-1-amine
SMILESCCOP(=O)(OCC)C1CC(N)C1
InChIInChI=1S/C8H18NO3P/c1-3-11-13(10,12-4-2)8-5-7(9)6-8/h7-8H,3-6,9H2,1-2H3
InChIKeyZWOXJGYXOLPDOK-UHFFFAOYSA-N
XLogP1.74
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.21
LogP ≤ 51.74
H-Bond Donors ≤ 51
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 3-diethoxyphosphorylcyclobutan-1-amine?
The IUPAC name of 3-diethoxyphosphorylcyclobutan-1-amine (CID 10727016) is 3-diethoxyphosphorylcyclobutan-1-amine.
What is the SMILES notation for 3-diethoxyphosphorylcyclobutan-1-amine?
The canonical SMILES for 3-diethoxyphosphorylcyclobutan-1-amine is CCOP(=O)(OCC)C1CC(N)C1.
What is the InChIKey of 3-diethoxyphosphorylcyclobutan-1-amine?
The InChIKey is ZWOXJGYXOLPDOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18NO3P/c1-3-11-13(10,12-4-2)8-5-7(9)6-8/h7-8H,3-6,9H2,1-2H3.
What are the key properties of 3-diethoxyphosphorylcyclobutan-1-amine?
3-diethoxyphosphorylcyclobutan-1-amine has a molecular weight of 207.21 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-diethoxyphosphorylcyclobutan-1-amine is sourced from PubChem (CID 10727016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).