2-(4,6-dimethylmorpholin-2-yl)ethyl-(2-ethyl-6-methylmorpholin-4-yl)-methyl-methylidene-λ5-phosphane

C17H35N2O2P — CID 20770203

IUPAC2-(4,6-dimethylmorpholin-2-yl)ethyl-(2-ethyl-6-methylmorpholin-4-yl)-methyl-methylidene-λ5-phosphane
SMILESC=P(C)(CCC1CN(C)CC(C)O1)N1CC(C)OC(CC)C1
InChIInChI=1S/C17H35N2O2P/c1-7-16-13-19(11-15(3)20-16)22(5,6)9-8-17-12-18(4)10-14(2)21-17/h14-17H,5,7-13H2,1-4,6H3
InChIKeyVETHCYWCPDQPGY-UHFFFAOYSA-N
MW330.45 g/mol
LogP2.59
Rot. Bonds5

About 2-(4,6-dimethylmorpholin-2-yl)ethyl-(2-ethyl-6-methylmorpholin-4-yl)-methyl-methylidene-λ5-phosphane

2-(4,6-dimethylmorpholin-2-yl)ethyl-(2-ethyl-6-methylmorpholin-4-yl)-methyl-methylidene-λ5-phosphane (PubChem CID 20770203) has the molecular formula C17H35N2O2P and a molecular weight of 330.45 g/mol. Its IUPAC name is 2-(4,6-dimethylmorpholin-2-yl)ethyl-(2-ethyl-6-methylmorpholin-4-yl)-methyl-methylidene-λ5-phosphane.

Molecular Properties

Compound Name2-(4,6-dimethylmorpholin-2-yl)ethyl-(2-ethyl-6-methylmorpholin-4-yl)-methyl-methylidene-λ5-phosphane
PubChem CID20770203
Molecular FormulaC17H35N2O2P
Molecular Weight330.45 g/mol
Exact Mass330.24
IUPAC Name2-(4,6-dimethylmorpholin-2-yl)ethyl-(2-ethyl-6-methylmorpholin-4-yl)-methyl-methylidene-λ5-phosphane
SMILESC=P(C)(CCC1CN(C)CC(C)O1)N1CC(C)OC(CC)C1
InChIInChI=1S/C17H35N2O2P/c1-7-16-13-19(11-15(3)20-16)22(5,6)9-8-17-12-18(4)10-14(2)21-17/h14-17H,5,7-13H2,1-4,6H3
InChIKeyVETHCYWCPDQPGY-UHFFFAOYSA-N
XLogP2.59
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S,6R)-2,6-diethyl-4-methylmorpholine
CID 152824903
CID 158444799
CID 158444799
ethane;(2S,6R)-2,4,6-trimethylmorpholine
CID 142013694
N-[(4,6-dimethylmorpholin-2-yl)methoxy-[2-methyl-6-(2-methylpropyl)morpholin-4-yl]phosphoryl]-N-methylmethanamine
CID 135178519
2-[(2S,6R)-2-ethyl-6-methylmorpholin-4-yl]ethanol
CID 125154641
[1-[(4,6-dimethylmorpholin-2-yl)methoxy-methylphosphoryl]piperidin-4-yl]-trimethylazanium
CID 161302078
4-cyclobutyl-2-ethyl-6-methylmorpholine
CID 131154192
2-[[3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl(methyl)phosphoryl]oxymethyl]-4,6-dimethylmorpholine
CID 158824777
3-amino-1-(2-ethyl-6-methylmorpholin-4-yl)propan-1-one
CID 119304810
hydroxy-[(2S,6S)-2-(methoxymethyl)-6-methylmorpholin-4-yl]-methyl-sulfanylidene-λ5-phosphane
CID 159762198
(5S)-3,5-dimethyl-1,3-oxazolidine
CID 118932917
tert-butyl (2S)-2-ethyl-6-methylmorpholine-4-carboxylate
CID 135742569

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethylmorpholin-2-yl)ethyl-(2-ethyl-6-methylmorpholin-4-yl)-methyl-methylidene-λ5-phosphane?
The IUPAC name of 2-(4,6-dimethylmorpholin-2-yl)ethyl-(2-ethyl-6-methylmorpholin-4-yl)-methyl-methylidene-λ5-phosphane (CID 20770203) is 2-(4,6-dimethylmorpholin-2-yl)ethyl-(2-ethyl-6-methylmorpholin-4-yl)-methyl-methylidene-λ5-phosphane.
What is the SMILES notation for 2-(4,6-dimethylmorpholin-2-yl)ethyl-(2-ethyl-6-methylmorpholin-4-yl)-methyl-methylidene-λ5-phosphane?
The canonical SMILES for 2-(4,6-dimethylmorpholin-2-yl)ethyl-(2-ethyl-6-methylmorpholin-4-yl)-methyl-methylidene-λ5-phosphane is C=P(C)(CCC1CN(C)CC(C)O1)N1CC(C)OC(CC)C1.
What is the InChIKey of 2-(4,6-dimethylmorpholin-2-yl)ethyl-(2-ethyl-6-methylmorpholin-4-yl)-methyl-methylidene-λ5-phosphane?
The InChIKey is VETHCYWCPDQPGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N2O2P/c1-7-16-13-19(11-15(3)20-16)22(5,6)9-8-17-12-18(4)10-14(2)21-17/h14-17H,5,7-13H2,1-4,6H3.
What are the key properties of 2-(4,6-dimethylmorpholin-2-yl)ethyl-(2-ethyl-6-methylmorpholin-4-yl)-methyl-methylidene-λ5-phosphane?
2-(4,6-dimethylmorpholin-2-yl)ethyl-(2-ethyl-6-methylmorpholin-4-yl)-methyl-methylidene-λ5-phosphane has a molecular weight of 330.45 g/mol, XLogP of 2.59, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethylmorpholin-2-yl)ethyl-(2-ethyl-6-methylmorpholin-4-yl)-methyl-methylidene-λ5-phosphane is sourced from PubChem (CID 20770203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).