(4R,5S)-N,N-diethyl-4,5-dimethyl-2-oxo-1,3,2λ5-dioxaphospholan-2-amine

C8H18NO3P — CID 23416093

IUPAC(4R,5S)-N,N-diethyl-4,5-dimethyl-2-oxo-1,3,2λ5-dioxaphospholan-2-amine
SMILESCCN(CC)P1(=O)O[C@@H](C)[C@@H](C)O1
InChIInChI=1S/C8H18NO3P/c1-5-9(6-2)13(10)11-7(3)8(4)12-13/h7-8H,5-6H2,1-4H3/t7-,8+,13?
InChIKeyQGZMHJYPGLZOEX-RKSAZJRESA-N
MW207.21 g/mol
LogP2.26
Rot. Bonds3

About (4R,5S)-N,N-diethyl-4,5-dimethyl-2-oxo-1,3,2λ5-dioxaphospholan-2-amine

(4R,5S)-N,N-diethyl-4,5-dimethyl-2-oxo-1,3,2λ5-dioxaphospholan-2-amine (PubChem CID 23416093) has the molecular formula C8H18NO3P and a molecular weight of 207.21 g/mol. Its IUPAC name is (4R,5S)-N,N-diethyl-4,5-dimethyl-2-oxo-1,3,2λ5-dioxaphospholan-2-amine.

Molecular Properties

Compound Name(4R,5S)-N,N-diethyl-4,5-dimethyl-2-oxo-1,3,2λ5-dioxaphospholan-2-amine
PubChem CID23416093
Molecular FormulaC8H18NO3P
Molecular Weight207.21 g/mol
Exact Mass207.10
IUPAC Name(4R,5S)-N,N-diethyl-4,5-dimethyl-2-oxo-1,3,2λ5-dioxaphospholan-2-amine
SMILESCCN(CC)P1(=O)O[C@@H](C)[C@@H](C)O1
InChIInChI=1S/C8H18NO3P/c1-5-9(6-2)13(10)11-7(3)8(4)12-13/h7-8H,5-6H2,1-4H3/t7-,8+,13?
InChIKeyQGZMHJYPGLZOEX-RKSAZJRESA-N
XLogP2.26
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.21
LogP ≤ 52.26
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

N,N-diethyl-4-methyl-2-oxo-1,3,2λ5-dioxaphospholan-2-amine
CID 15711491
2-(2,2-dimethylpropoxy)-4,5-dimethyl-1,3,2λ5-dioxaphospholane 2-oxide
CID 12583349
N,N-diethyl-3-oxo-2,4,6,7,8,9-hexahydro-1,5,3λ5-benzodioxaphosphepin-3-amine
CID 24869425
(2S,3S)-N,N-diethyl-3-methyloxirane-2-carboxamide
CID 45084480
4-[2-(diethylamino)-4-methyl-1,3,2λ5-dioxaphosphinan-2-ylidene]butan-2-one
CID 23263743
(1S,2R,6R,9R)-4-N,4-N,11-N,11-N-tetraethyl-4,11-bis(sulfanylidene)-3,5,7,10,12-pentaoxa-4λ5,11λ5-diphosphatricyclo[7.3.0.02,6]dodecane-4,11-diamine
CID 23268490
2-N,2-N,2-N',2-N',4-N,4-N,4-N',4-N',6-N,6-N,6-N',6-N'-dodecaethyl-1,3,5-triaza-2lambda5,4lambda5,6lambda5-triphosphacyclohexa-1,3,5-triene-2,2,4,4,6,6-hexamine
CID 3657757
8-N,8-N,14-N,14-N,22-N,22-N-hexaethyl-5,11,17-trimethyl-8,14,22-trioxo-1-aza-8λ5,14λ5,22λ5-triphosphahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene-8,14,22-triamine
CID 139428982
2-ethyl-4-methyl-1,3,2λ5-dioxaphosphinane 2-oxide
CID 58422993
1,3-diethyl-2-[(2S,3R)-3-methyloxiran-2-yl]-1,3,2λ5-diazaphospholidine 2-oxide
CID 88832521
3-[(4,5-dimethyl-2-oxo-1,3,2λ5-dioxaphospholan-2-yl)methoxy]propanenitrile
CID 23311369
7-[2-[ethyl-(2-oxo-1,3,2lambda5-dioxaphosphinan-2-yl)amino]ethyl]-1,3-dimethylpurine-2,6-dione
CID 3053689

Frequently Asked Questions

What is the IUPAC name of (4R,5S)-N,N-diethyl-4,5-dimethyl-2-oxo-1,3,2λ5-dioxaphospholan-2-amine?
The IUPAC name of (4R,5S)-N,N-diethyl-4,5-dimethyl-2-oxo-1,3,2λ5-dioxaphospholan-2-amine (CID 23416093) is (4R,5S)-N,N-diethyl-4,5-dimethyl-2-oxo-1,3,2λ5-dioxaphospholan-2-amine.
What is the SMILES notation for (4R,5S)-N,N-diethyl-4,5-dimethyl-2-oxo-1,3,2λ5-dioxaphospholan-2-amine?
The canonical SMILES for (4R,5S)-N,N-diethyl-4,5-dimethyl-2-oxo-1,3,2λ5-dioxaphospholan-2-amine is CCN(CC)P1(=O)O[C@@H](C)[C@@H](C)O1.
What is the InChIKey of (4R,5S)-N,N-diethyl-4,5-dimethyl-2-oxo-1,3,2λ5-dioxaphospholan-2-amine?
The InChIKey is QGZMHJYPGLZOEX-RKSAZJRESA-N. The full InChI is InChI=1S/C8H18NO3P/c1-5-9(6-2)13(10)11-7(3)8(4)12-13/h7-8H,5-6H2,1-4H3/t7-,8+,13?.
What are the key properties of (4R,5S)-N,N-diethyl-4,5-dimethyl-2-oxo-1,3,2λ5-dioxaphospholan-2-amine?
(4R,5S)-N,N-diethyl-4,5-dimethyl-2-oxo-1,3,2λ5-dioxaphospholan-2-amine has a molecular weight of 207.21 g/mol, XLogP of 2.26, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-N,N-diethyl-4,5-dimethyl-2-oxo-1,3,2λ5-dioxaphospholan-2-amine is sourced from PubChem (CID 23416093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).