bis(2-methoxyethoxy)-methyl-methylimino-λ5-phosphane;methane;N-(2-methoxyethoxy-methyl-methylimino-λ5-phosphanyl)-N-methyl-2-morpholin-4-ylethanamine;N-methyl-N-[methyl-methylimino-[methyl(2-morpholin-4-ylethyl)amino]-λ5-phosphanyl]-2-morpholin-4-ylethanamine

C42H108N9O9P3 — CID 157178821

IUPACbis(2-methoxyethoxy)-methyl-methylimino-λ5-phosphane;methane;N-(2-methoxyethoxy-methyl-methylimino-λ5-phosphanyl)-N-methyl-2-morpholin-4-ylethanamine;N-methyl-N-[methyl-methylimino-[methyl(2-morpholin-4-ylethyl)amino]-λ5-phosphanyl]-2-morpholin-4-ylethanamine
SMILESC.C.C.C.C.C.CN=P(C)(N(C)CCN1CCOCC1)N(C)CCN1CCOCC1.CN=P(C)(OCCOC)N(C)CCN1CCOCC1.CN=P(C)(OCCOC)OCCOC
InChIInChI=1S/C16H36N5O2P.C12H28N3O3P.C8H20NO4P.6CH4/c1-17-24(4,18(2)5-7-20-9-13-22-14-10-20)19(3)6-8-21-11-15-23-16-12-21;1-13-19(4,18-12-11-16-3)14(2)5-6-15-7-9-17-10-8-15;1-9-14(4,12-7-5-10-2)13-8-6-11-3;;;;;;/h5-16H2,1-4H3;5-12H2,1-4H3;5-8H2,1-4H3;6*1H4
InChIKeyAOIJVYPSQLBKOD-UHFFFAOYSA-N
MW976.30 g/mol
LogP7.43
Rot. Bonds24

About bis(2-methoxyethoxy)-methyl-methylimino-λ5-phosphane;methane;N-(2-methoxyethoxy-methyl-methylimino-λ5-phosphanyl)-N-methyl-2-morpholin-4-ylethanamine;N-methyl-N-[methyl-methylimino-[methyl(2-morpholin-4-ylethyl)amino]-λ5-phosphanyl]-2-morpholin-4-ylethanamine

bis(2-methoxyethoxy)-methyl-methylimino-λ5-phosphane;methane;N-(2-methoxyethoxy-methyl-methylimino-λ5-phosphanyl)-N-methyl-2-morpholin-4-ylethanamine;N-methyl-N-[methyl-methylimino-[methyl(2-morpholin-4-ylethyl)amino]-λ5-phosphanyl]-2-morpholin-4-ylethanamine (PubChem CID 157178821) has the molecular formula C42H108N9O9P3 and a molecular weight of 976.30 g/mol. Its IUPAC name is bis(2-methoxyethoxy)-methyl-methylimino-λ5-phosphane;methane;N-(2-methoxyethoxy-methyl-methylimino-λ5-phosphanyl)-N-methyl-2-morpholin-4-ylethanamine;N-methyl-N-[methyl-methylimino-[methyl(2-morpholin-4-ylethyl)amino]-λ5-phosphanyl]-2-morpholin-4-ylethanamine.

Molecular Properties

Compound Namebis(2-methoxyethoxy)-methyl-methylimino-λ5-phosphane;methane;N-(2-methoxyethoxy-methyl-methylimino-λ5-phosphanyl)-N-methyl-2-morpholin-4-ylethanamine;N-methyl-N-[methyl-methylimino-[methyl(2-morpholin-4-ylethyl)amino]-λ5-phosphanyl]-2-morpholin-4-ylethanamine
PubChem CID157178821
Molecular FormulaC42H108N9O9P3
Molecular Weight976.30 g/mol
Exact Mass975.75
IUPAC Namebis(2-methoxyethoxy)-methyl-methylimino-λ5-phosphane;methane;N-(2-methoxyethoxy-methyl-methylimino-λ5-phosphanyl)-N-methyl-2-morpholin-4-ylethanamine;N-methyl-N-[methyl-methylimino-[methyl(2-morpholin-4-ylethyl)amino]-λ5-phosphanyl]-2-morpholin-4-ylethanamine
SMILESC.C.C.C.C.C.CN=P(C)(N(C)CCN1CCOCC1)N(C)CCN1CCOCC1.CN=P(C)(OCCOC)N(C)CCN1CCOCC1.CN=P(C)(OCCOC)OCCOC
InChIInChI=1S/C16H36N5O2P.C12H28N3O3P.C8H20NO4P.6CH4/c1-17-24(4,18(2)5-7-20-9-13-22-14-10-20)19(3)6-8-21-11-15-23-16-12-21;1-13-19(4,18-12-11-16-3)14(2)5-6-15-7-9-17-10-8-15;1-9-14(4,12-7-5-10-2)13-8-6-11-3;;;;;;/h5-16H2,1-4H3;5-12H2,1-4H3;5-8H2,1-4H3;6*1H4
InChIKeyAOIJVYPSQLBKOD-UHFFFAOYSA-N
XLogP7.43
TPSA139.59 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds24
Heavy Atoms63
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500976.30
LogP ≤ 57.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

Analyze bis(2-methoxyethoxy)-methyl-methylimino-λ5-phosphane;methane;N-(2-methoxyethoxy-methyl-methylimino-λ5-phosphanyl)-N-methyl-2-morpholin-4-ylethanamine;N-methyl-N-[methyl-methylimino-[methyl(2-morpholin-4-ylethyl)amino]-λ5-phosphanyl]-2-morpholin-4-ylethanamine with MolForge

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Related Compounds

N-methyl-N-[methyl-methylimino-[methyl(2-morpholin-4-ylethyl)amino]-λ5-phosphanyl]-2-morpholin-4-ylethanamine
CID 122519265
4-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]morpholine
CID 135134424
ethane;4-[2-[4-(2-methoxyethyl)piperazin-1-yl]ethyl]morpholine
CID 143677740
13,16-bis[2-(2-methoxyethoxy)ethyl]-1,4,7,10-tetraoxa-13,16-diazacyclooctadecane
CID 14910697
5-methoxy-3-methylidene-N-(2-morpholin-4-ylethyl)-N-propylpentan-1-amine
CID 143677808
N,N-dimethyl-1-(2-morpholin-4-ylethoxy)ethanamine
CID 123734761
zinc;N,N-dimethyl-2-morpholin-4-ylethanamine;dichloride
CID 70152362
2-methoxy-1-(2-morpholin-4-ylethoxy)ethanol
CID 135137976
N-methyl-N-(2-morpholin-4-ylethyl)-2-nitrosoethanamine
CID 174194198
N,N-diiodo-2-morpholin-4-ylethanamine
CID 129036940
N,2-dimethyl-N-(2-morpholin-4-ylethyl)propanamide
CID 22954090
2-(3-methoxypropylamino)-N-(2-morpholin-4-ylethyl)acetamide
CID 108994050

Frequently Asked Questions

What is the IUPAC name of bis(2-methoxyethoxy)-methyl-methylimino-λ5-phosphane;methane;N-(2-methoxyethoxy-methyl-methylimino-λ5-phosphanyl)-N-methyl-2-morpholin-4-ylethanamine;N-methyl-N-[methyl-methylimino-[methyl(2-morpholin-4-ylethyl)amino]-λ5-phosphanyl]-2-morpholin-4-ylethanamine?
The IUPAC name of bis(2-methoxyethoxy)-methyl-methylimino-λ5-phosphane;methane;N-(2-methoxyethoxy-methyl-methylimino-λ5-phosphanyl)-N-methyl-2-morpholin-4-ylethanamine;N-methyl-N-[methyl-methylimino-[methyl(2-morpholin-4-ylethyl)amino]-λ5-phosphanyl]-2-morpholin-4-ylethanamine (CID 157178821) is bis(2-methoxyethoxy)-methyl-methylimino-λ5-phosphane;methane;N-(2-methoxyethoxy-methyl-methylimino-λ5-phosphanyl)-N-methyl-2-morpholin-4-ylethanamine;N-methyl-N-[methyl-methylimino-[methyl(2-morpholin-4-ylethyl)amino]-λ5-phosphanyl]-2-morpholin-4-ylethanamine.
What is the SMILES notation for bis(2-methoxyethoxy)-methyl-methylimino-λ5-phosphane;methane;N-(2-methoxyethoxy-methyl-methylimino-λ5-phosphanyl)-N-methyl-2-morpholin-4-ylethanamine;N-methyl-N-[methyl-methylimino-[methyl(2-morpholin-4-ylethyl)amino]-λ5-phosphanyl]-2-morpholin-4-ylethanamine?
The canonical SMILES for bis(2-methoxyethoxy)-methyl-methylimino-λ5-phosphane;methane;N-(2-methoxyethoxy-methyl-methylimino-λ5-phosphanyl)-N-methyl-2-morpholin-4-ylethanamine;N-methyl-N-[methyl-methylimino-[methyl(2-morpholin-4-ylethyl)amino]-λ5-phosphanyl]-2-morpholin-4-ylethanamine is C.C.C.C.C.C.CN=P(C)(N(C)CCN1CCOCC1)N(C)CCN1CCOCC1.CN=P(C)(OCCOC)N(C)CCN1CCOCC1.CN=P(C)(OCCOC)OCCOC.
What is the InChIKey of bis(2-methoxyethoxy)-methyl-methylimino-λ5-phosphane;methane;N-(2-methoxyethoxy-methyl-methylimino-λ5-phosphanyl)-N-methyl-2-morpholin-4-ylethanamine;N-methyl-N-[methyl-methylimino-[methyl(2-morpholin-4-ylethyl)amino]-λ5-phosphanyl]-2-morpholin-4-ylethanamine?
The InChIKey is AOIJVYPSQLBKOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36N5O2P.C12H28N3O3P.C8H20NO4P.6CH4/c1-17-24(4,18(2)5-7-20-9-13-22-14-10-20)19(3)6-8-21-11-15-23-16-12-21;1-13-19(4,18-12-11-16-3)14(2)5-6-15-7-9-17-10-8-15;1-9-14(4,12-7-5-10-2)13-8-6-11-3;;;;;;/h5-16H2,1-4H3;5-12H2,1-4H3;5-8H2,1-4H3;6*1H4.
What are the key properties of bis(2-methoxyethoxy)-methyl-methylimino-λ5-phosphane;methane;N-(2-methoxyethoxy-methyl-methylimino-λ5-phosphanyl)-N-methyl-2-morpholin-4-ylethanamine;N-methyl-N-[methyl-methylimino-[methyl(2-morpholin-4-ylethyl)amino]-λ5-phosphanyl]-2-morpholin-4-ylethanamine?
bis(2-methoxyethoxy)-methyl-methylimino-λ5-phosphane;methane;N-(2-methoxyethoxy-methyl-methylimino-λ5-phosphanyl)-N-methyl-2-morpholin-4-ylethanamine;N-methyl-N-[methyl-methylimino-[methyl(2-morpholin-4-ylethyl)amino]-λ5-phosphanyl]-2-morpholin-4-ylethanamine has a molecular weight of 976.30 g/mol, XLogP of 7.43, 24 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-methoxyethoxy)-methyl-methylimino-λ5-phosphane;methane;N-(2-methoxyethoxy-methyl-methylimino-λ5-phosphanyl)-N-methyl-2-morpholin-4-ylethanamine;N-methyl-N-[methyl-methylimino-[methyl(2-morpholin-4-ylethyl)amino]-λ5-phosphanyl]-2-morpholin-4-ylethanamine is sourced from PubChem (CID 157178821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).