N-[(4,6-dimethylmorpholin-2-yl)methoxy-[2-methyl-6-(2-methylpropyl)morpholin-4-yl]phosphoryl]-N-methylmethanamine

C18H38N3O4P — CID 135178519

IUPACN-[(4,6-dimethylmorpholin-2-yl)methoxy-[2-methyl-6-(2-methylpropyl)morpholin-4-yl]phosphoryl]-N-methylmethanamine
SMILESCC(C)CC1CN(P(=O)(OCC2CN(C)CC(C)O2)N(C)C)CC(C)O1
InChIInChI=1S/C18H38N3O4P/c1-14(2)8-17-12-21(10-16(4)24-17)26(22,19(5)6)23-13-18-11-20(7)9-15(3)25-18/h14-18H,8-13H2,1-7H3
InChIKeyBCOGUMBXYLRILC-UHFFFAOYSA-N
MW391.49 g/mol
LogP2.53
Rot. Bonds7

About N-[(4,6-dimethylmorpholin-2-yl)methoxy-[2-methyl-6-(2-methylpropyl)morpholin-4-yl]phosphoryl]-N-methylmethanamine

N-[(4,6-dimethylmorpholin-2-yl)methoxy-[2-methyl-6-(2-methylpropyl)morpholin-4-yl]phosphoryl]-N-methylmethanamine (PubChem CID 135178519) has the molecular formula C18H38N3O4P and a molecular weight of 391.49 g/mol. Its IUPAC name is N-[(4,6-dimethylmorpholin-2-yl)methoxy-[2-methyl-6-(2-methylpropyl)morpholin-4-yl]phosphoryl]-N-methylmethanamine.

Molecular Properties

Compound NameN-[(4,6-dimethylmorpholin-2-yl)methoxy-[2-methyl-6-(2-methylpropyl)morpholin-4-yl]phosphoryl]-N-methylmethanamine
PubChem CID135178519
Molecular FormulaC18H38N3O4P
Molecular Weight391.49 g/mol
Exact Mass391.26
IUPAC NameN-[(4,6-dimethylmorpholin-2-yl)methoxy-[2-methyl-6-(2-methylpropyl)morpholin-4-yl]phosphoryl]-N-methylmethanamine
SMILESCC(C)CC1CN(P(=O)(OCC2CN(C)CC(C)O2)N(C)C)CC(C)O1
InChIInChI=1S/C18H38N3O4P/c1-14(2)8-17-12-21(10-16(4)24-17)26(22,19(5)6)23-13-18-11-20(7)9-15(3)25-18/h14-18H,8-13H2,1-7H3
InChIKeyBCOGUMBXYLRILC-UHFFFAOYSA-N
XLogP2.53
TPSA54.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.49
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethane;2-[2-(2-hydroxyethoxy)ethoxy]ethyl 4-[dimethylamino-[[(2S)-4,6-dimethylmorpholin-2-yl]methoxy]phosphoryl]piperazine-1-carboxylate
CID 155701015
dimethylamino-[[(2S,6S)-4-[dimethylamino-[[(2S,6R)-6-methoxymorpholin-2-yl]methoxy]phosphoryl]-6-methylmorpholin-2-yl]methoxy]-oxophosphanium;ethane
CID 155701013
N-[[2-(methoxymethyl)morpholin-4-yl]-[(4-methylmorpholin-2-yl)methoxy]phosphoryl]-N-methylmethanamine
CID 10383294
CID 158444799
CID 158444799
[1-[(4,6-dimethylmorpholin-2-yl)methoxy-methylphosphoryl]piperidin-4-yl]-trimethylazanium
CID 161302078
2-[2-(2-hydroxyethoxy)ethoxy]ethyl 4-[dimethylamino-[[(2S,6S)-4-[dimethylamino-[[(2S,6S)-6-methylmorpholin-2-yl]methoxy]phosphoryl]-6-methylmorpholin-2-yl]methoxy]phosphoryl]piperazine-1-carboxylate
CID 149418489
N-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S)-4-[[(2S,6R)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4,6-dimethylmorpholin-2-yl]methoxy-methylphosphoryl]-6-tritiomorpholin-2-yl]methoxy-methylphosphoryl]-6-methylmorpholin-2-yl]methoxy-methylphosphoryl]-6-tritiomorpholin-2-yl]methoxy-methylphosphoryl]morpholin-6-id-2-yl]methoxy-methylphosphoryl]-6-methylmorpholin-2-yl]methoxy-methylphosphoryl]-6-methylmorpholin-2-yl]methoxy-methylphosphoryl]-N-methylmethanamine;yttrium
CID 160658096
2-[[3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl(methyl)phosphoryl]oxymethyl]-4,6-dimethylmorpholine
CID 158824777
dimethylamino-[[(2S)-4-[dimethylamino-[[(2S,6S)-6-methylmorpholin-2-yl]methoxy]phosphoryl]morpholin-2-yl]methoxy]-oxophosphanium;ethane;N-methyl-N-[methyl-[[(2S)-4-methylmorpholin-2-yl]methoxy]phosphoryl]methanamine
CID 155701017
dimethylamino-[[(2S,6R)-4-[dimethylamino-[[(2S,6R)-6-hydroxymorpholin-2-yl]methoxy]phosphoryl]-6-hydroxymorpholin-2-yl]methoxy]-oxophosphanium
CID 146223223
N-[8-[4-[[4-[[4-[(4-acetyl-6-methylmorpholin-2-yl)methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]piperazin-1-yl]-1-(diaminomethylideneamino)-5,8-dioxooctan-4-yl]acetamide
CID 164962104
2-(4,6-dimethylmorpholin-2-yl)ethyl-(2-ethyl-6-methylmorpholin-4-yl)-methyl-methylidene-λ5-phosphane
CID 20770203

Frequently Asked Questions

What is the IUPAC name of N-[(4,6-dimethylmorpholin-2-yl)methoxy-[2-methyl-6-(2-methylpropyl)morpholin-4-yl]phosphoryl]-N-methylmethanamine?
The IUPAC name of N-[(4,6-dimethylmorpholin-2-yl)methoxy-[2-methyl-6-(2-methylpropyl)morpholin-4-yl]phosphoryl]-N-methylmethanamine (CID 135178519) is N-[(4,6-dimethylmorpholin-2-yl)methoxy-[2-methyl-6-(2-methylpropyl)morpholin-4-yl]phosphoryl]-N-methylmethanamine.
What is the SMILES notation for N-[(4,6-dimethylmorpholin-2-yl)methoxy-[2-methyl-6-(2-methylpropyl)morpholin-4-yl]phosphoryl]-N-methylmethanamine?
The canonical SMILES for N-[(4,6-dimethylmorpholin-2-yl)methoxy-[2-methyl-6-(2-methylpropyl)morpholin-4-yl]phosphoryl]-N-methylmethanamine is CC(C)CC1CN(P(=O)(OCC2CN(C)CC(C)O2)N(C)C)CC(C)O1.
What is the InChIKey of N-[(4,6-dimethylmorpholin-2-yl)methoxy-[2-methyl-6-(2-methylpropyl)morpholin-4-yl]phosphoryl]-N-methylmethanamine?
The InChIKey is BCOGUMBXYLRILC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38N3O4P/c1-14(2)8-17-12-21(10-16(4)24-17)26(22,19(5)6)23-13-18-11-20(7)9-15(3)25-18/h14-18H,8-13H2,1-7H3.
What are the key properties of N-[(4,6-dimethylmorpholin-2-yl)methoxy-[2-methyl-6-(2-methylpropyl)morpholin-4-yl]phosphoryl]-N-methylmethanamine?
N-[(4,6-dimethylmorpholin-2-yl)methoxy-[2-methyl-6-(2-methylpropyl)morpholin-4-yl]phosphoryl]-N-methylmethanamine has a molecular weight of 391.49 g/mol, XLogP of 2.53, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,6-dimethylmorpholin-2-yl)methoxy-[2-methyl-6-(2-methylpropyl)morpholin-4-yl]phosphoryl]-N-methylmethanamine is sourced from PubChem (CID 135178519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).