N,N,5-trimethyl-2-oxo-1,3,2lambda5-dioxaphosphinan-2-amine

C6H14NO3P — CID 541906

IUPACN,N,5-trimethyl-2-oxo-1,3,2lambda5-dioxaphosphinan-2-amine
SMILESCC1COP(=O)(N(C)C)OC1
InChIInChI=1S/C6H14NO3P/c1-6-4-9-11(8,7(2)3)10-5-6/h6H,4-5H2,1-3H3
InChIKeyARFHZHCHQHAKIG-UHFFFAOYSA-N
MW179.16 g/mol
LogP1.34
Rot. Bonds1

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

N,N,5-trimethyl-2-oxo-1,3,2lambda5-dioxaphosphinan-2-amine (PubChem CID 541906) has the molecular formula C6H14NO3P and a molecular weight of 179.16 g/mol. Its IUPAC name is N,N,5-trimethyl-2-oxo-1,3,2lambda5-dioxaphosphinan-2-amine.

Molecular Properties

Compound NameN,N,5-trimethyl-2-oxo-1,3,2lambda5-dioxaphosphinan-2-amine
PubChem CID541906
Molecular FormulaC6H14NO3P
Molecular Weight179.16 g/mol
Exact Mass179.07
IUPAC NameN,N,5-trimethyl-2-oxo-1,3,2lambda5-dioxaphosphinan-2-amine
SMILESCC1COP(=O)(N(C)C)OC1
InChIInChI=1S/C6H14NO3P/c1-6-4-9-11(8,7(2)3)10-5-6/h6H,4-5H2,1-3H3
InChIKeyARFHZHCHQHAKIG-UHFFFAOYSA-N
XLogP1.34
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.16
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,3,2-Dioxaphosphorinane, 2-(dimethylamino)-
CID 140235
1,3,2-Dioxaphosphorinane, 2-(dimethylamino)-5,5-dimethyl-
CID 550490
2-Dimethylamino-2-oxo-4-methyl-1,3,2-dioxaphosphorinane
CID 13204282
N,N,5,5-tetramethyl-2-oxo-1,3,2lambda5-dioxaphosphinan-2-amine
CID 23413497
5-ethyl-N,N-dimethyl-1,3,2-dioxaphosphinan-2-amine
CID 320706
5-ethynyl-N,N-dimethyl-2-oxo-1,3,2lambda5-dioxaphosphinan-2-amine
CID 89446433
N-ethyl-N-methyl-2-oxo-1,3,2lambda5-dioxaphosphinan-2-amine
CID 175597420
(2R,4S)-N,N,4-trimethyl-2-oxo-1,3,2lambda5-dioxaphosphinan-2-amine
CID 13204284
2-(Dimethylamino)-1,3,2lambda~5~-dioxaphosphinan-2-one
CID 15655557
(2S,4S)-N,N,4-trimethyl-2-oxo-1,3,2lambda5-dioxaphosphinan-2-amine
CID 23416107

Frequently Asked Questions

What is the IUPAC name of N,N,5-trimethyl-2-oxo-1,3,2lambda5-dioxaphosphinan-2-amine?
The IUPAC name of N,N,5-trimethyl-2-oxo-1,3,2lambda5-dioxaphosphinan-2-amine (CID 541906) is N,N,5-trimethyl-2-oxo-1,3,2lambda5-dioxaphosphinan-2-amine.
What is the SMILES notation for N,N,5-trimethyl-2-oxo-1,3,2lambda5-dioxaphosphinan-2-amine?
The canonical SMILES for N,N,5-trimethyl-2-oxo-1,3,2lambda5-dioxaphosphinan-2-amine is CC1COP(=O)(N(C)C)OC1.
What is the InChIKey of N,N,5-trimethyl-2-oxo-1,3,2lambda5-dioxaphosphinan-2-amine?
The InChIKey is ARFHZHCHQHAKIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14NO3P/c1-6-4-9-11(8,7(2)3)10-5-6/h6H,4-5H2,1-3H3.
What are the key properties of N,N,5-trimethyl-2-oxo-1,3,2lambda5-dioxaphosphinan-2-amine?
N,N,5-trimethyl-2-oxo-1,3,2lambda5-dioxaphosphinan-2-amine has a molecular weight of 179.16 g/mol, XLogP of 1.34, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,5-trimethyl-2-oxo-1,3,2lambda5-dioxaphosphinan-2-amine is sourced from PubChem (CID 541906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).