N,N,4-trimethyl-2-oxo-1,3,2lambda5-dioxaphosphinan-2-amine

C6H14NO3P — CID 13204282

IUPACN,N,4-trimethyl-2-oxo-1,3,2lambda5-dioxaphosphinan-2-amine
SMILESCC1CCOP(=O)(N(C)C)O1
InChIInChI=1S/C6H14NO3P/c1-6-4-5-9-11(8,10-6)7(2)3/h6H,4-5H2,1-3H3
InChIKeyXMTQJFYUASOATO-UHFFFAOYSA-N
MW179.16 g/mol
LogP1.48
Rot. Bonds1

About N,N,4-trimethyl-2-oxo-1,3,2lambda5-dioxaphosphinan-2-amine

N,N,4-trimethyl-2-oxo-1,3,2lambda5-dioxaphosphinan-2-amine (PubChem CID 13204282) has the molecular formula C6H14NO3P and a molecular weight of 179.16 g/mol. Its IUPAC name is N,N,4-trimethyl-2-oxo-1,3,2lambda5-dioxaphosphinan-2-amine.

Molecular Properties

Compound NameN,N,4-trimethyl-2-oxo-1,3,2lambda5-dioxaphosphinan-2-amine
PubChem CID13204282
Molecular FormulaC6H14NO3P
Molecular Weight179.16 g/mol
Exact Mass179.07
IUPAC NameN,N,4-trimethyl-2-oxo-1,3,2lambda5-dioxaphosphinan-2-amine
SMILESCC1CCOP(=O)(N(C)C)O1
InChIInChI=1S/C6H14NO3P/c1-6-4-5-9-11(8,10-6)7(2)3/h6H,4-5H2,1-3H3
InChIKeyXMTQJFYUASOATO-UHFFFAOYSA-N
XLogP1.48
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 ≤ 51.48
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,4-trimethyl-2-oxo-1,3,2lambda5-dioxaphosphinan-2-amine?
The IUPAC name of N,N,4-trimethyl-2-oxo-1,3,2lambda5-dioxaphosphinan-2-amine (CID 13204282) is N,N,4-trimethyl-2-oxo-1,3,2lambda5-dioxaphosphinan-2-amine.
What is the SMILES notation for N,N,4-trimethyl-2-oxo-1,3,2lambda5-dioxaphosphinan-2-amine?
The canonical SMILES for N,N,4-trimethyl-2-oxo-1,3,2lambda5-dioxaphosphinan-2-amine is CC1CCOP(=O)(N(C)C)O1.
What is the InChIKey of N,N,4-trimethyl-2-oxo-1,3,2lambda5-dioxaphosphinan-2-amine?
The InChIKey is XMTQJFYUASOATO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14NO3P/c1-6-4-5-9-11(8,10-6)7(2)3/h6H,4-5H2,1-3H3.
What are the key properties of N,N,4-trimethyl-2-oxo-1,3,2lambda5-dioxaphosphinan-2-amine?
N,N,4-trimethyl-2-oxo-1,3,2lambda5-dioxaphosphinan-2-amine has a molecular weight of 179.16 g/mol, XLogP of 1.48, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,4-trimethyl-2-oxo-1,3,2lambda5-dioxaphosphinan-2-amine is sourced from PubChem (CID 13204282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).