N,N-dibutyl-5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-amine

C13H28NO3P — CID 10826393

IUPACN,N-dibutyl-5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-amine
SMILESCCCCN(CCCC)P1(=O)OCC(C)(C)CO1
InChIInChI=1S/C13H28NO3P/c1-5-7-9-14(10-8-6-2)18(15)16-11-13(3,4)12-17-18/h5-12H2,1-4H3
InChIKeyKAUQAPCKNYUIRK-UHFFFAOYSA-N
MW277.34 g/mol
LogP4.07
Rot. Bonds7

About N,N-dibutyl-5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-amine

N,N-dibutyl-5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-amine (PubChem CID 10826393) has the molecular formula C13H28NO3P and a molecular weight of 277.34 g/mol. Its IUPAC name is N,N-dibutyl-5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-amine.

Molecular Properties

Compound NameN,N-dibutyl-5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-amine
PubChem CID10826393
Molecular FormulaC13H28NO3P
Molecular Weight277.34 g/mol
Exact Mass277.18
IUPAC NameN,N-dibutyl-5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-amine
SMILESCCCCN(CCCC)P1(=O)OCC(C)(C)CO1
InChIInChI=1S/C13H28NO3P/c1-5-7-9-14(10-8-6-2)18(15)16-11-13(3,4)12-17-18/h5-12H2,1-4H3
InChIKeyKAUQAPCKNYUIRK-UHFFFAOYSA-N
XLogP4.07
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-dibutyl-5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-amine?
The IUPAC name of N,N-dibutyl-5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-amine (CID 10826393) is N,N-dibutyl-5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-amine.
What is the SMILES notation for N,N-dibutyl-5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-amine?
The canonical SMILES for N,N-dibutyl-5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-amine is CCCCN(CCCC)P1(=O)OCC(C)(C)CO1.
What is the InChIKey of N,N-dibutyl-5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-amine?
The InChIKey is KAUQAPCKNYUIRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28NO3P/c1-5-7-9-14(10-8-6-2)18(15)16-11-13(3,4)12-17-18/h5-12H2,1-4H3.
What are the key properties of N,N-dibutyl-5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-amine?
N,N-dibutyl-5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-amine has a molecular weight of 277.34 g/mol, XLogP of 4.07, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutyl-5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-amine is sourced from PubChem (CID 10826393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).