2-[dimethyl(propan-2-yl)azaniumyl]ethyl propan-2-yl phosphate

C10H24NO4P — CID 155766203

IUPAC2-[dimethyl(propan-2-yl)azaniumyl]ethyl propan-2-yl phosphate
SMILESCC(C)OP(=O)([O-])OCC[N+](C)(C)C(C)C
InChIInChI=1S/C10H24NO4P/c1-9(2)11(5,6)7-8-14-16(12,13)15-10(3)4/h9-10H,7-8H2,1-6H3
InChIKeyPWDHQAWVUNVLNW-UHFFFAOYSA-N
MW253.28 g/mol
LogP1.38
Rot. Bonds7

About 2-[dimethyl(propan-2-yl)azaniumyl]ethyl propan-2-yl phosphate

2-[dimethyl(propan-2-yl)azaniumyl]ethyl propan-2-yl phosphate (PubChem CID 155766203) has the molecular formula C10H24NO4P and a molecular weight of 253.28 g/mol. Its IUPAC name is 2-[dimethyl(propan-2-yl)azaniumyl]ethyl propan-2-yl phosphate.

Molecular Properties

Compound Name2-[dimethyl(propan-2-yl)azaniumyl]ethyl propan-2-yl phosphate
PubChem CID155766203
Molecular FormulaC10H24NO4P
Molecular Weight253.28 g/mol
Exact Mass253.14
IUPAC Name2-[dimethyl(propan-2-yl)azaniumyl]ethyl propan-2-yl phosphate
SMILESCC(C)OP(=O)([O-])OCC[N+](C)(C)C(C)C
InChIInChI=1S/C10H24NO4P/c1-9(2)11(5,6)7-8-14-16(12,13)15-10(3)4/h9-10H,7-8H2,1-6H3
InChIKeyPWDHQAWVUNVLNW-UHFFFAOYSA-N
XLogP1.38
TPSA58.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.28
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze 2-[dimethyl(propan-2-yl)azaniumyl]ethyl propan-2-yl phosphate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[dimethyl(propan-2-yl)azaniumyl]ethyl methyl phosphate
CID 153309185
2-[hydroxy(propan-2-yloxy)phosphoryl]oxyethyl-dimethyl-propan-2-ylazanium
CID 155766204
copper bis(dipropan-2-yl phosphate)
CID 159825108
2-methoxyethyl-dimethyl-propan-2-ylazanium
CID 123576136
prop-2-enyl 2-(trimethylazaniumyl)ethyl phosphate
CID 11535902
2-[hydroxy(octadecoxy)phosphoryl]oxyethyl-dimethyl-propan-2-ylazanium
CID 164941050
2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-(trimethylazaniumyl)ethyl phosphate
CID 58922621
32-[oxido-[2-(trimethylazaniumyl)ethoxy]phosphoryl]oxydotriacontyl 2-(trimethylazaniumyl)ethyl phosphate
CID 11366358
2-[dimethyl(propan-2-yl)azaniumyl]ethyl sulfate
CID 59400064
methyl 2-(trimethylazaniumyl)ethyl phosphate;molecular iodine
CID 159899690
CID 59914615
CID 59914615
hexadecyl 2-[methyl(dipropyl)azaniumyl]ethyl phosphate
CID 44612947

Frequently Asked Questions

What is the IUPAC name of 2-[dimethyl(propan-2-yl)azaniumyl]ethyl propan-2-yl phosphate?
The IUPAC name of 2-[dimethyl(propan-2-yl)azaniumyl]ethyl propan-2-yl phosphate (CID 155766203) is 2-[dimethyl(propan-2-yl)azaniumyl]ethyl propan-2-yl phosphate.
What is the SMILES notation for 2-[dimethyl(propan-2-yl)azaniumyl]ethyl propan-2-yl phosphate?
The canonical SMILES for 2-[dimethyl(propan-2-yl)azaniumyl]ethyl propan-2-yl phosphate is CC(C)OP(=O)([O-])OCC[N+](C)(C)C(C)C.
What is the InChIKey of 2-[dimethyl(propan-2-yl)azaniumyl]ethyl propan-2-yl phosphate?
The InChIKey is PWDHQAWVUNVLNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24NO4P/c1-9(2)11(5,6)7-8-14-16(12,13)15-10(3)4/h9-10H,7-8H2,1-6H3.
What are the key properties of 2-[dimethyl(propan-2-yl)azaniumyl]ethyl propan-2-yl phosphate?
2-[dimethyl(propan-2-yl)azaniumyl]ethyl propan-2-yl phosphate has a molecular weight of 253.28 g/mol, XLogP of 1.38, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[dimethyl(propan-2-yl)azaniumyl]ethyl propan-2-yl phosphate is sourced from PubChem (CID 155766203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).