1-[(2,2-dimethylaziridin-1-yl)-ethoxyphosphoryl]-2,2-dimethylaziridine

C10H21N2O2P — CID 26990

IUPAC1-[(2,2-dimethylaziridin-1-yl)-ethoxyphosphoryl]-2,2-dimethylaziridine
SMILESCCOP(=O)(N1CC1(C)C)N1CC1(C)C
InChIInChI=1S/C10H21N2O2P/c1-6-14-15(13,11-7-9(11,2)3)12-8-10(12,4)5/h6-8H2,1-5H3
InChIKeySOYAWOSQURUWHG-UHFFFAOYSA-N
MW232.26 g/mol
LogP2.32
Rot. Bonds4

About 1-[(2,2-dimethylaziridin-1-yl)-ethoxyphosphoryl]-2,2-dimethylaziridine

1-[(2,2-dimethylaziridin-1-yl)-ethoxyphosphoryl]-2,2-dimethylaziridine (PubChem CID 26990) has the molecular formula C10H21N2O2P and a molecular weight of 232.26 g/mol. Its IUPAC name is 1-[(2,2-dimethylaziridin-1-yl)-ethoxyphosphoryl]-2,2-dimethylaziridine.

Molecular Properties

Compound Name1-[(2,2-dimethylaziridin-1-yl)-ethoxyphosphoryl]-2,2-dimethylaziridine
PubChem CID26990
Molecular FormulaC10H21N2O2P
Molecular Weight232.26 g/mol
Exact Mass232.13
IUPAC Name1-[(2,2-dimethylaziridin-1-yl)-ethoxyphosphoryl]-2,2-dimethylaziridine
SMILESCCOP(=O)(N1CC1(C)C)N1CC1(C)C
InChIInChI=1S/C10H21N2O2P/c1-6-14-15(13,11-7-9(11,2)3)12-8-10(12,4)5/h6-8H2,1-5H3
InChIKeySOYAWOSQURUWHG-UHFFFAOYSA-N
XLogP2.32
TPSA32.32 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.26
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 10609899
CID 10609899
1,1-bis(diethoxyphosphoryl)cyclohexane
CID 14689987
2-diethoxyphosphoryl-2-methylpyrrolidine
CID 5007980
2-diethoxyphosphoryl-2-methyl-3,4-dihydropyrrole
CID 15882675
(2R)-2-diethoxyphosphoryl-2,5-dimethyl-3,4-dihydropyrrole
CID 11424790
2-diethoxyphosphoryl-2,3,3-trimethyloxirane
CID 24975893
1-diethoxyphosphorylpyrrolidine
CID 10750826
2-diethoxyphosphoryl-2-methylcyclohexan-1-one
CID 11791525
1-(4-amino-1-bicyclo[2.2.2]octanyl)-2-diethoxyphosphorylethanone
CID 129130905
diaminophosphoryloxyethane
CID 12620494
tetrasodium ethyl phosphate
CID 141178132
CID 131882906
CID 131882906

Frequently Asked Questions

What is the IUPAC name of 1-[(2,2-dimethylaziridin-1-yl)-ethoxyphosphoryl]-2,2-dimethylaziridine?
The IUPAC name of 1-[(2,2-dimethylaziridin-1-yl)-ethoxyphosphoryl]-2,2-dimethylaziridine (CID 26990) is 1-[(2,2-dimethylaziridin-1-yl)-ethoxyphosphoryl]-2,2-dimethylaziridine.
What is the SMILES notation for 1-[(2,2-dimethylaziridin-1-yl)-ethoxyphosphoryl]-2,2-dimethylaziridine?
The canonical SMILES for 1-[(2,2-dimethylaziridin-1-yl)-ethoxyphosphoryl]-2,2-dimethylaziridine is CCOP(=O)(N1CC1(C)C)N1CC1(C)C.
What is the InChIKey of 1-[(2,2-dimethylaziridin-1-yl)-ethoxyphosphoryl]-2,2-dimethylaziridine?
The InChIKey is SOYAWOSQURUWHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N2O2P/c1-6-14-15(13,11-7-9(11,2)3)12-8-10(12,4)5/h6-8H2,1-5H3.
What are the key properties of 1-[(2,2-dimethylaziridin-1-yl)-ethoxyphosphoryl]-2,2-dimethylaziridine?
1-[(2,2-dimethylaziridin-1-yl)-ethoxyphosphoryl]-2,2-dimethylaziridine has a molecular weight of 232.26 g/mol, XLogP of 2.32, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,2-dimethylaziridin-1-yl)-ethoxyphosphoryl]-2,2-dimethylaziridine is sourced from PubChem (CID 26990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).