N,N-diethyl-5,5-dimethyl-2-oxo-1,3,2lambda5-dioxaphosphinan-2-amine

C9H20NO3P — CID 14387013

IUPACN,N-diethyl-5,5-dimethyl-2-oxo-1,3,2lambda5-dioxaphosphinan-2-amine
SMILESCCN(CC)P1(=O)OCC(C)(C)CO1
InChIInChI=1S/C9H20NO3P/c1-5-10(6-2)14(11)12-7-9(3,4)8-13-14/h5-8H2,1-4H3
InChIKeyBFVAMYACFMNCFG-UHFFFAOYSA-N
MW221.24 g/mol
LogP2.51
Rot. Bonds3

About N,N-diethyl-5,5-dimethyl-2-oxo-1,3,2lambda5-dioxaphosphinan-2-amine

N,N-diethyl-5,5-dimethyl-2-oxo-1,3,2lambda5-dioxaphosphinan-2-amine (PubChem CID 14387013) has the molecular formula C9H20NO3P and a molecular weight of 221.24 g/mol. Its IUPAC name is N,N-diethyl-5,5-dimethyl-2-oxo-1,3,2lambda5-dioxaphosphinan-2-amine.

Molecular Properties

Compound NameN,N-diethyl-5,5-dimethyl-2-oxo-1,3,2lambda5-dioxaphosphinan-2-amine
PubChem CID14387013
Molecular FormulaC9H20NO3P
Molecular Weight221.24 g/mol
Exact Mass221.12
IUPAC NameN,N-diethyl-5,5-dimethyl-2-oxo-1,3,2lambda5-dioxaphosphinan-2-amine
SMILESCCN(CC)P1(=O)OCC(C)(C)CO1
InChIInChI=1S/C9H20NO3P/c1-5-10(6-2)14(11)12-7-9(3,4)8-13-14/h5-8H2,1-4H3
InChIKeyBFVAMYACFMNCFG-UHFFFAOYSA-N
XLogP2.51
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.24
LogP ≤ 52.51
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-diethyl-5,5-dimethyl-2-oxo-1,3,2lambda5-dioxaphosphinan-2-amine?
The IUPAC name of N,N-diethyl-5,5-dimethyl-2-oxo-1,3,2lambda5-dioxaphosphinan-2-amine (CID 14387013) is N,N-diethyl-5,5-dimethyl-2-oxo-1,3,2lambda5-dioxaphosphinan-2-amine.
What is the SMILES notation for N,N-diethyl-5,5-dimethyl-2-oxo-1,3,2lambda5-dioxaphosphinan-2-amine?
The canonical SMILES for N,N-diethyl-5,5-dimethyl-2-oxo-1,3,2lambda5-dioxaphosphinan-2-amine is CCN(CC)P1(=O)OCC(C)(C)CO1.
What is the InChIKey of N,N-diethyl-5,5-dimethyl-2-oxo-1,3,2lambda5-dioxaphosphinan-2-amine?
The InChIKey is BFVAMYACFMNCFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20NO3P/c1-5-10(6-2)14(11)12-7-9(3,4)8-13-14/h5-8H2,1-4H3.
What are the key properties of N,N-diethyl-5,5-dimethyl-2-oxo-1,3,2lambda5-dioxaphosphinan-2-amine?
N,N-diethyl-5,5-dimethyl-2-oxo-1,3,2lambda5-dioxaphosphinan-2-amine has a molecular weight of 221.24 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-5,5-dimethyl-2-oxo-1,3,2lambda5-dioxaphosphinan-2-amine is sourced from PubChem (CID 14387013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).