N,N-diethyl-4-methyl-2-oxo-1,3,2λ5-dioxaphospholan-2-amine

C7H16NO3P — CID 15711491

IUPACN,N-diethyl-4-methyl-2-oxo-1,3,2λ5-dioxaphospholan-2-amine
SMILESCCN(CC)P1(=O)OCC(C)O1
InChIInChI=1S/C7H16NO3P/c1-4-8(5-2)12(9)10-6-7(3)11-12/h7H,4-6H2,1-3H3
InChIKeyXIGZNYNBTAKVKF-UHFFFAOYSA-N
MW193.18 g/mol
LogP1.87
Rot. Bonds3

About N,N-diethyl-4-methyl-2-oxo-1,3,2λ5-dioxaphospholan-2-amine

N,N-diethyl-4-methyl-2-oxo-1,3,2λ5-dioxaphospholan-2-amine (PubChem CID 15711491) has the molecular formula C7H16NO3P and a molecular weight of 193.18 g/mol. Its IUPAC name is N,N-diethyl-4-methyl-2-oxo-1,3,2λ5-dioxaphospholan-2-amine.

Molecular Properties

Compound NameN,N-diethyl-4-methyl-2-oxo-1,3,2λ5-dioxaphospholan-2-amine
PubChem CID15711491
Molecular FormulaC7H16NO3P
Molecular Weight193.18 g/mol
Exact Mass193.09
IUPAC NameN,N-diethyl-4-methyl-2-oxo-1,3,2λ5-dioxaphospholan-2-amine
SMILESCCN(CC)P1(=O)OCC(C)O1
InChIInChI=1S/C7H16NO3P/c1-4-8(5-2)12(9)10-6-7(3)11-12/h7H,4-6H2,1-3H3
InChIKeyXIGZNYNBTAKVKF-UHFFFAOYSA-N
XLogP1.87
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.18
LogP ≤ 51.87
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-4-methyl-2-oxo-1,3,2λ5-dioxaphospholan-2-amine?
The IUPAC name of N,N-diethyl-4-methyl-2-oxo-1,3,2λ5-dioxaphospholan-2-amine (CID 15711491) is N,N-diethyl-4-methyl-2-oxo-1,3,2λ5-dioxaphospholan-2-amine.
What is the SMILES notation for N,N-diethyl-4-methyl-2-oxo-1,3,2λ5-dioxaphospholan-2-amine?
The canonical SMILES for N,N-diethyl-4-methyl-2-oxo-1,3,2λ5-dioxaphospholan-2-amine is CCN(CC)P1(=O)OCC(C)O1.
What is the InChIKey of N,N-diethyl-4-methyl-2-oxo-1,3,2λ5-dioxaphospholan-2-amine?
The InChIKey is XIGZNYNBTAKVKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16NO3P/c1-4-8(5-2)12(9)10-6-7(3)11-12/h7H,4-6H2,1-3H3.
What are the key properties of N,N-diethyl-4-methyl-2-oxo-1,3,2λ5-dioxaphospholan-2-amine?
N,N-diethyl-4-methyl-2-oxo-1,3,2λ5-dioxaphospholan-2-amine has a molecular weight of 193.18 g/mol, XLogP of 1.87, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-methyl-2-oxo-1,3,2λ5-dioxaphospholan-2-amine is sourced from PubChem (CID 15711491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).