dipropan-2-yl hydrogen phosphate;N-methylmethanamine

C8H22NO4P — CID 14117486

IUPACdipropan-2-yl hydrogen phosphate;N-methylmethanamine
SMILESCC(C)OP(=O)(O)OC(C)C.CNC
InChIInChI=1S/C6H15O4P.C2H7N/c1-5(2)9-11(7,8)10-6(3)4;1-3-2/h5-6H,1-4H3,(H,7,8);3H,1-2H3
InChIKeyNMWNHMREZAYNAN-UHFFFAOYSA-N
MW227.24 g/mol
LogP1.77
Rot. Bonds4

About dipropan-2-yl hydrogen phosphate;N-methylmethanamine

dipropan-2-yl hydrogen phosphate;N-methylmethanamine (PubChem CID 14117486) has the molecular formula C8H22NO4P and a molecular weight of 227.24 g/mol. Its IUPAC name is dipropan-2-yl hydrogen phosphate;N-methylmethanamine.

Molecular Properties

Compound Namedipropan-2-yl hydrogen phosphate;N-methylmethanamine
PubChem CID14117486
Molecular FormulaC8H22NO4P
Molecular Weight227.24 g/mol
Exact Mass227.13
IUPAC Namedipropan-2-yl hydrogen phosphate;N-methylmethanamine
SMILESCC(C)OP(=O)(O)OC(C)C.CNC
InChIInChI=1S/C6H15O4P.C2H7N/c1-5(2)9-11(7,8)10-6(3)4;1-3-2/h5-6H,1-4H3,(H,7,8);3H,1-2H3
InChIKeyNMWNHMREZAYNAN-UHFFFAOYSA-N
XLogP1.77
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.24
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

fluoro propan-2-yl hydrogen phosphate
CID 22590861
[hydroxy(phosphonooxy)phosphoryl] propan-2-yl hydrogen phosphate
CID 59471512
ethenyl propan-2-yl hydrogen phosphate
CID 101139347
calcium;dihydrogen phosphate;propan-2-yl hydrogen phosphate
CID 175259848
potassium;hydride;propan-2-yl dihydrogen phosphate
CID 173374044
[hydroxy(phosphonooxy)phosphinothioyl] propan-2-yl hydrogen phosphate
CID 59471498
azido propan-2-yl hydrogen phosphate
CID 23045995
propan-2-yl 2,2,2-trifluoroethyl hydrogen phosphate
CID 10059393
tert-butyl [hydroxy-[hydroxy(propan-2-yloxy)phosphoryl]oxyphosphoryl] hydrogen phosphate
CID 129302859
ethane;[hydroxy(phosphonooxy)phosphoryl] propan-2-yl hydrogen phosphate;methane;phosphono propan-2-yl hydrogen phosphate;propan-2-yl dihydrogen phosphate
CID 161098585
fluoro(methyl)phosphinic acid;2-[fluoro(methyl)phosphoryl]oxypropane
CID 87088477
N,N-dimethyl-propan-2-yloxyphosphonamidic acid
CID 14117490

Frequently Asked Questions

What is the IUPAC name of dipropan-2-yl hydrogen phosphate;N-methylmethanamine?
The IUPAC name of dipropan-2-yl hydrogen phosphate;N-methylmethanamine (CID 14117486) is dipropan-2-yl hydrogen phosphate;N-methylmethanamine.
What is the SMILES notation for dipropan-2-yl hydrogen phosphate;N-methylmethanamine?
The canonical SMILES for dipropan-2-yl hydrogen phosphate;N-methylmethanamine is CC(C)OP(=O)(O)OC(C)C.CNC.
What is the InChIKey of dipropan-2-yl hydrogen phosphate;N-methylmethanamine?
The InChIKey is NMWNHMREZAYNAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15O4P.C2H7N/c1-5(2)9-11(7,8)10-6(3)4;1-3-2/h5-6H,1-4H3,(H,7,8);3H,1-2H3.
What are the key properties of dipropan-2-yl hydrogen phosphate;N-methylmethanamine?
dipropan-2-yl hydrogen phosphate;N-methylmethanamine has a molecular weight of 227.24 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dipropan-2-yl hydrogen phosphate;N-methylmethanamine is sourced from PubChem (CID 14117486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).