N,N-dimethyloxolan-3-amine;6-ethyl-2,3,4a,5,7,7a-hexahydro-[1,4]dioxino[2,3-c]pyrrole;1-ethyl-4-methyl-1,4λ5-azaphosphinane 4-oxide

C21H44N3O4P — CID 166542933

IUPACN,N-dimethyloxolan-3-amine;6-ethyl-2,3,4a,5,7,7a-hexahydro-[1,4]dioxino[2,3-c]pyrrole;1-ethyl-4-methyl-1,4λ5-azaphosphinane 4-oxide
SMILESCCN1CC2OCCOC2C1.CCN1CCP(C)(=O)CC1.CN(C)C1CCOC1
InChIInChI=1S/C8H15NO2.C7H16NOP.C6H13NO/c1-2-9-5-7-8(6-9)11-4-3-10-7;1-3-8-4-6-10(2,9)7-5-8;1-7(2)6-3-4-8-5-6/h7-8H,2-6H2,1H3;3-7H2,1-2H3;6H,3-5H2,1-2H3
InChIKeyFISPDGMOLWRMBE-UHFFFAOYSA-N
MW433.57 g/mol
LogP1.76
Rot. Bonds3

About N,N-dimethyloxolan-3-amine;6-ethyl-2,3,4a,5,7,7a-hexahydro-[1,4]dioxino[2,3-c]pyrrole;1-ethyl-4-methyl-1,4λ5-azaphosphinane 4-oxide

N,N-dimethyloxolan-3-amine;6-ethyl-2,3,4a,5,7,7a-hexahydro-[1,4]dioxino[2,3-c]pyrrole;1-ethyl-4-methyl-1,4λ5-azaphosphinane 4-oxide (PubChem CID 166542933) has the molecular formula C21H44N3O4P and a molecular weight of 433.57 g/mol. Its IUPAC name is N,N-dimethyloxolan-3-amine;6-ethyl-2,3,4a,5,7,7a-hexahydro-[1,4]dioxino[2,3-c]pyrrole;1-ethyl-4-methyl-1,4λ5-azaphosphinane 4-oxide.

Molecular Properties

Compound NameN,N-dimethyloxolan-3-amine;6-ethyl-2,3,4a,5,7,7a-hexahydro-[1,4]dioxino[2,3-c]pyrrole;1-ethyl-4-methyl-1,4λ5-azaphosphinane 4-oxide
PubChem CID166542933
Molecular FormulaC21H44N3O4P
Molecular Weight433.57 g/mol
Exact Mass433.31
IUPAC NameN,N-dimethyloxolan-3-amine;6-ethyl-2,3,4a,5,7,7a-hexahydro-[1,4]dioxino[2,3-c]pyrrole;1-ethyl-4-methyl-1,4λ5-azaphosphinane 4-oxide
SMILESCCN1CC2OCCOC2C1.CCN1CCP(C)(=O)CC1.CN(C)C1CCOC1
InChIInChI=1S/C8H15NO2.C7H16NOP.C6H13NO/c1-2-9-5-7-8(6-9)11-4-3-10-7;1-3-8-4-6-10(2,9)7-5-8;1-7(2)6-3-4-8-5-6/h7-8H,2-6H2,1H3;3-7H2,1-2H3;6H,3-5H2,1-2H3
InChIKeyFISPDGMOLWRMBE-UHFFFAOYSA-N
XLogP1.76
TPSA54.48 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.57
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N,N-dimethyloxolan-3-amine;6-ethyl-2,3,4a,5,7,7a-hexahydro-[1,4]dioxino[2,3-c]pyrrole;1-ethyl-4-methyl-1,4λ5-azaphosphinane 4-oxide with MolForge

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Related Compounds

6-ethyl-3,4a,5,7,8,8a-hexahydro-2H-[1,4]dioxino[2,3-c]pyridine
CID 118641587
4-(aminomethyl)-1-ethyl-N-methyl-N-(oxolan-3-yl)piperidin-4-amine
CID 82735423
2-(4-aminopiperidin-1-yl)-N-methyl-N-(oxolan-3-yl)acetamide
CID 81489412
N-[2-(8-azabicyclo[3.2.1]octan-3-yl)ethyl]-N-methyloxolan-3-amine
CID 82739082
1-ethyl-3-(oxiran-2-yl)pyrrolidine
CID 102567830
(3R)-1-ethyl-N,N-dimethylpiperidin-3-amine
CID 95912118
2-[methyl(oxolan-3-yl)amino]propan-1-ol
CID 115773290
N-cyclobutyl-1-ethyl-N-methylpiperidin-4-amine;hydrofluoride
CID 178156932
6-ethyl-2-methyl-1,3,6,2λ5-dioxazaphosphocane 2-oxide
CID 170850968
N,N-dimethyl-1-[[4-(propylamino)oxan-3-yl]methyl]piperidin-4-amine
CID 103058865
ethane;6-ethyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine
CID 144987600
2-[methyl(oxolan-3-yl)amino]acetaldehyde
CID 82742163

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyloxolan-3-amine;6-ethyl-2,3,4a,5,7,7a-hexahydro-[1,4]dioxino[2,3-c]pyrrole;1-ethyl-4-methyl-1,4λ5-azaphosphinane 4-oxide?
The IUPAC name of N,N-dimethyloxolan-3-amine;6-ethyl-2,3,4a,5,7,7a-hexahydro-[1,4]dioxino[2,3-c]pyrrole;1-ethyl-4-methyl-1,4λ5-azaphosphinane 4-oxide (CID 166542933) is N,N-dimethyloxolan-3-amine;6-ethyl-2,3,4a,5,7,7a-hexahydro-[1,4]dioxino[2,3-c]pyrrole;1-ethyl-4-methyl-1,4λ5-azaphosphinane 4-oxide.
What is the SMILES notation for N,N-dimethyloxolan-3-amine;6-ethyl-2,3,4a,5,7,7a-hexahydro-[1,4]dioxino[2,3-c]pyrrole;1-ethyl-4-methyl-1,4λ5-azaphosphinane 4-oxide?
The canonical SMILES for N,N-dimethyloxolan-3-amine;6-ethyl-2,3,4a,5,7,7a-hexahydro-[1,4]dioxino[2,3-c]pyrrole;1-ethyl-4-methyl-1,4λ5-azaphosphinane 4-oxide is CCN1CC2OCCOC2C1.CCN1CCP(C)(=O)CC1.CN(C)C1CCOC1.
What is the InChIKey of N,N-dimethyloxolan-3-amine;6-ethyl-2,3,4a,5,7,7a-hexahydro-[1,4]dioxino[2,3-c]pyrrole;1-ethyl-4-methyl-1,4λ5-azaphosphinane 4-oxide?
The InChIKey is FISPDGMOLWRMBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2.C7H16NOP.C6H13NO/c1-2-9-5-7-8(6-9)11-4-3-10-7;1-3-8-4-6-10(2,9)7-5-8;1-7(2)6-3-4-8-5-6/h7-8H,2-6H2,1H3;3-7H2,1-2H3;6H,3-5H2,1-2H3.
What are the key properties of N,N-dimethyloxolan-3-amine;6-ethyl-2,3,4a,5,7,7a-hexahydro-[1,4]dioxino[2,3-c]pyrrole;1-ethyl-4-methyl-1,4λ5-azaphosphinane 4-oxide?
N,N-dimethyloxolan-3-amine;6-ethyl-2,3,4a,5,7,7a-hexahydro-[1,4]dioxino[2,3-c]pyrrole;1-ethyl-4-methyl-1,4λ5-azaphosphinane 4-oxide has a molecular weight of 433.57 g/mol, XLogP of 1.76, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyloxolan-3-amine;6-ethyl-2,3,4a,5,7,7a-hexahydro-[1,4]dioxino[2,3-c]pyrrole;1-ethyl-4-methyl-1,4λ5-azaphosphinane 4-oxide is sourced from PubChem (CID 166542933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).