N'-[[ethoxy(methoxy)phosphoryl]methyl]-N'-[[ethoxy(propyl)phosphoryl]methyl]-N,N-dimethylpropane-1,3-diamine

C15H36N2O5P2 — CID 118933959

IUPACN'-[[ethoxy(methoxy)phosphoryl]methyl]-N'-[[ethoxy(propyl)phosphoryl]methyl]-N,N-dimethylpropane-1,3-diamine
SMILESCCCP(=O)(CN(CCCN(C)C)CP(=O)(OC)OCC)OCC
InChIInChI=1S/C15H36N2O5P2/c1-7-13-23(18,21-8-2)14-17(12-10-11-16(4)5)15-24(19,20-6)22-9-3/h7-15H2,1-6H3
InChIKeySRVPQCOLXFARRD-UHFFFAOYSA-N
MW386.41 g/mol
LogP3.76
Rot. Bonds15

About N'-[[ethoxy(methoxy)phosphoryl]methyl]-N'-[[ethoxy(propyl)phosphoryl]methyl]-N,N-dimethylpropane-1,3-diamine

N'-[[ethoxy(methoxy)phosphoryl]methyl]-N'-[[ethoxy(propyl)phosphoryl]methyl]-N,N-dimethylpropane-1,3-diamine (PubChem CID 118933959) has the molecular formula C15H36N2O5P2 and a molecular weight of 386.41 g/mol. Its IUPAC name is N'-[[ethoxy(methoxy)phosphoryl]methyl]-N'-[[ethoxy(propyl)phosphoryl]methyl]-N,N-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[[ethoxy(methoxy)phosphoryl]methyl]-N'-[[ethoxy(propyl)phosphoryl]methyl]-N,N-dimethylpropane-1,3-diamine
PubChem CID118933959
Molecular FormulaC15H36N2O5P2
Molecular Weight386.41 g/mol
Exact Mass386.21
IUPAC NameN'-[[ethoxy(methoxy)phosphoryl]methyl]-N'-[[ethoxy(propyl)phosphoryl]methyl]-N,N-dimethylpropane-1,3-diamine
SMILESCCCP(=O)(CN(CCCN(C)C)CP(=O)(OC)OCC)OCC
InChIInChI=1S/C15H36N2O5P2/c1-7-13-23(18,21-8-2)14-17(12-10-11-16(4)5)15-24(19,20-6)22-9-3/h7-15H2,1-6H3
InChIKeySRVPQCOLXFARRD-UHFFFAOYSA-N
XLogP3.76
TPSA68.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds15
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.41
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3-[diethoxyphosphorylmethyl-[[ethoxy(methoxy)phosphoryl]methyl]amino]propyl-dimethyl-octadecylazanium
CID 144901195
1-[ethoxy(methoxy)phosphoryl]butane
CID 86081258
N-butyl-N-[[ethoxy(ethyl)phosphoryl]oxymethyl]butan-1-amine
CID 88729772
[4-(dimethylamino)butyl-(phosphonomethyl)amino]methylphosphonic acid
CID 20776526
[3-(dimethylamino)propyl-(phosphonooxymethyl)amino]methyl dihydrogen phosphate
CID 20776520
N,N-dimethyl-N',N'-dipropylpropane-1,3-diamine
CID 89150859
N,N-dimethylbutan-1-amine;ethane;methane
CID 142050981
1-[methoxy(propyl)phosphoryl]oxypropane
CID 587089
1-[fluoromethyl(methoxy)phosphoryl]oxyethane
CID 13426238
1-[[chloro(dideuterio)methyl]-ethoxyphosphoryl]propane
CID 10330081
N-[ethoxy(methoxy)phosphoryl]-N-propylpropan-1-amine
CID 86037664
1-diethoxyphosphoryldecane
CID 2773697

Frequently Asked Questions

What is the IUPAC name of N'-[[ethoxy(methoxy)phosphoryl]methyl]-N'-[[ethoxy(propyl)phosphoryl]methyl]-N,N-dimethylpropane-1,3-diamine?
The IUPAC name of N'-[[ethoxy(methoxy)phosphoryl]methyl]-N'-[[ethoxy(propyl)phosphoryl]methyl]-N,N-dimethylpropane-1,3-diamine (CID 118933959) is N'-[[ethoxy(methoxy)phosphoryl]methyl]-N'-[[ethoxy(propyl)phosphoryl]methyl]-N,N-dimethylpropane-1,3-diamine.
What is the SMILES notation for N'-[[ethoxy(methoxy)phosphoryl]methyl]-N'-[[ethoxy(propyl)phosphoryl]methyl]-N,N-dimethylpropane-1,3-diamine?
The canonical SMILES for N'-[[ethoxy(methoxy)phosphoryl]methyl]-N'-[[ethoxy(propyl)phosphoryl]methyl]-N,N-dimethylpropane-1,3-diamine is CCCP(=O)(CN(CCCN(C)C)CP(=O)(OC)OCC)OCC.
What is the InChIKey of N'-[[ethoxy(methoxy)phosphoryl]methyl]-N'-[[ethoxy(propyl)phosphoryl]methyl]-N,N-dimethylpropane-1,3-diamine?
The InChIKey is SRVPQCOLXFARRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H36N2O5P2/c1-7-13-23(18,21-8-2)14-17(12-10-11-16(4)5)15-24(19,20-6)22-9-3/h7-15H2,1-6H3.
What are the key properties of N'-[[ethoxy(methoxy)phosphoryl]methyl]-N'-[[ethoxy(propyl)phosphoryl]methyl]-N,N-dimethylpropane-1,3-diamine?
N'-[[ethoxy(methoxy)phosphoryl]methyl]-N'-[[ethoxy(propyl)phosphoryl]methyl]-N,N-dimethylpropane-1,3-diamine has a molecular weight of 386.41 g/mol, XLogP of 3.76, 15 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[ethoxy(methoxy)phosphoryl]methyl]-N'-[[ethoxy(propyl)phosphoryl]methyl]-N,N-dimethylpropane-1,3-diamine is sourced from PubChem (CID 118933959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).