N-[2-[dihydroxy(dimethyl)-λ5-phosphanyl]oxyethyl]-N-propan-2-ylpropan-2-amine

C10H26NO3P — CID 151578187

IUPACN-[2-[dihydroxy(dimethyl)-λ5-phosphanyl]oxyethyl]-N-propan-2-ylpropan-2-amine
SMILESCC(C)N(CCOP(C)(C)(O)O)C(C)C
InChIInChI=1S/C10H26NO3P/c1-9(2)11(10(3)4)7-8-14-15(5,6,12)13/h9-10,12-13H,7-8H2,1-6H3
InChIKeyHEOATCAVAGGMJZ-UHFFFAOYSA-N
MW239.30 g/mol
LogP1.66
Rot. Bonds6

About N-[2-[dihydroxy(dimethyl)-λ5-phosphanyl]oxyethyl]-N-propan-2-ylpropan-2-amine

N-[2-[dihydroxy(dimethyl)-λ5-phosphanyl]oxyethyl]-N-propan-2-ylpropan-2-amine (PubChem CID 151578187) has the molecular formula C10H26NO3P and a molecular weight of 239.30 g/mol. Its IUPAC name is N-[2-[dihydroxy(dimethyl)-λ5-phosphanyl]oxyethyl]-N-propan-2-ylpropan-2-amine.

Molecular Properties

Compound NameN-[2-[dihydroxy(dimethyl)-λ5-phosphanyl]oxyethyl]-N-propan-2-ylpropan-2-amine
PubChem CID151578187
Molecular FormulaC10H26NO3P
Molecular Weight239.30 g/mol
Exact Mass239.17
IUPAC NameN-[2-[dihydroxy(dimethyl)-λ5-phosphanyl]oxyethyl]-N-propan-2-ylpropan-2-amine
SMILESCC(C)N(CCOP(C)(C)(O)O)C(C)C
InChIInChI=1S/C10H26NO3P/c1-9(2)11(10(3)4)7-8-14-15(5,6,12)13/h9-10,12-13H,7-8H2,1-6H3
InChIKeyHEOATCAVAGGMJZ-UHFFFAOYSA-N
XLogP1.66
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[dihydroxy(dimethyl)-λ5-phosphanyl]oxyethyl]-N-propan-2-ylpropan-2-amine?
The IUPAC name of N-[2-[dihydroxy(dimethyl)-λ5-phosphanyl]oxyethyl]-N-propan-2-ylpropan-2-amine (CID 151578187) is N-[2-[dihydroxy(dimethyl)-λ5-phosphanyl]oxyethyl]-N-propan-2-ylpropan-2-amine.
What is the SMILES notation for N-[2-[dihydroxy(dimethyl)-λ5-phosphanyl]oxyethyl]-N-propan-2-ylpropan-2-amine?
The canonical SMILES for N-[2-[dihydroxy(dimethyl)-λ5-phosphanyl]oxyethyl]-N-propan-2-ylpropan-2-amine is CC(C)N(CCOP(C)(C)(O)O)C(C)C.
What is the InChIKey of N-[2-[dihydroxy(dimethyl)-λ5-phosphanyl]oxyethyl]-N-propan-2-ylpropan-2-amine?
The InChIKey is HEOATCAVAGGMJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H26NO3P/c1-9(2)11(10(3)4)7-8-14-15(5,6,12)13/h9-10,12-13H,7-8H2,1-6H3.
What are the key properties of N-[2-[dihydroxy(dimethyl)-λ5-phosphanyl]oxyethyl]-N-propan-2-ylpropan-2-amine?
N-[2-[dihydroxy(dimethyl)-λ5-phosphanyl]oxyethyl]-N-propan-2-ylpropan-2-amine has a molecular weight of 239.30 g/mol, XLogP of 1.66, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[dihydroxy(dimethyl)-λ5-phosphanyl]oxyethyl]-N-propan-2-ylpropan-2-amine is sourced from PubChem (CID 151578187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).