2-tert-butyl-1,3,2λ5-diazaphosphinane 2-oxide

C7H17N2OP — CID 70668311

IUPAC2-tert-butyl-1,3,2λ5-diazaphosphinane 2-oxide
SMILESCC(C)(C)P1(=O)NCCCN1
InChIInChI=1S/C7H17N2OP/c1-7(2,3)11(10)8-5-4-6-9-11/h4-6H2,1-3H3,(H2,8,9,10)
InChIKeyLFMNUTITPATBQK-UHFFFAOYSA-N
MW176.20 g/mol
LogP1.56
Rot. Bonds

About 2-tert-butyl-1,3,2λ5-diazaphosphinane 2-oxide

2-tert-butyl-1,3,2λ5-diazaphosphinane 2-oxide (PubChem CID 70668311) has the molecular formula C7H17N2OP and a molecular weight of 176.20 g/mol. Its IUPAC name is 2-tert-butyl-1,3,2λ5-diazaphosphinane 2-oxide.

Molecular Properties

Compound Name2-tert-butyl-1,3,2λ5-diazaphosphinane 2-oxide
PubChem CID70668311
Molecular FormulaC7H17N2OP
Molecular Weight176.20 g/mol
Exact Mass176.11
IUPAC Name2-tert-butyl-1,3,2λ5-diazaphosphinane 2-oxide
SMILESCC(C)(C)P1(=O)NCCCN1
InChIInChI=1S/C7H17N2OP/c1-7(2,3)11(10)8-5-4-6-9-11/h4-6H2,1-3H3,(H2,8,9,10)
InChIKeyLFMNUTITPATBQK-UHFFFAOYSA-N
XLogP1.56
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.20
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1,3,2λ5-diazaphosphinane 2-oxide?
The IUPAC name of 2-tert-butyl-1,3,2λ5-diazaphosphinane 2-oxide (CID 70668311) is 2-tert-butyl-1,3,2λ5-diazaphosphinane 2-oxide.
What is the SMILES notation for 2-tert-butyl-1,3,2λ5-diazaphosphinane 2-oxide?
The canonical SMILES for 2-tert-butyl-1,3,2λ5-diazaphosphinane 2-oxide is CC(C)(C)P1(=O)NCCCN1.
What is the InChIKey of 2-tert-butyl-1,3,2λ5-diazaphosphinane 2-oxide?
The InChIKey is LFMNUTITPATBQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N2OP/c1-7(2,3)11(10)8-5-4-6-9-11/h4-6H2,1-3H3,(H2,8,9,10).
What are the key properties of 2-tert-butyl-1,3,2λ5-diazaphosphinane 2-oxide?
2-tert-butyl-1,3,2λ5-diazaphosphinane 2-oxide has a molecular weight of 176.20 g/mol, XLogP of 1.56, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1,3,2λ5-diazaphosphinane 2-oxide is sourced from PubChem (CID 70668311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).