N-[bis[(2-methylpropan-2-yl)oxy]phosphorylmethyl-[(2-methylpropan-2-yl)oxy]phosphanyl]-N-propan-2-ylpropan-2-amine

C19H43NO4P2 — CID 155228166

IUPACN-[bis[(2-methylpropan-2-yl)oxy]phosphorylmethyl-[(2-methylpropan-2-yl)oxy]phosphanyl]-N-propan-2-ylpropan-2-amine
SMILESCC(C)N(C(C)C)P(CP(=O)(OC(C)(C)C)OC(C)(C)C)OC(C)(C)C
InChIInChI=1S/C19H43NO4P2/c1-15(2)20(16(3)4)25(22-17(5,6)7)14-26(21,23-18(8,9)10)24-19(11,12)13/h15-16H,14H2,1-13H3
InChIKeyBYGVWZMHXNDVFR-UHFFFAOYSA-N
MW411.50 g/mol
LogP7.01
Rot. Bonds8

About N-[bis[(2-methylpropan-2-yl)oxy]phosphorylmethyl-[(2-methylpropan-2-yl)oxy]phosphanyl]-N-propan-2-ylpropan-2-amine

N-[bis[(2-methylpropan-2-yl)oxy]phosphorylmethyl-[(2-methylpropan-2-yl)oxy]phosphanyl]-N-propan-2-ylpropan-2-amine (PubChem CID 155228166) has the molecular formula C19H43NO4P2 and a molecular weight of 411.50 g/mol. Its IUPAC name is N-[bis[(2-methylpropan-2-yl)oxy]phosphorylmethyl-[(2-methylpropan-2-yl)oxy]phosphanyl]-N-propan-2-ylpropan-2-amine.

Molecular Properties

Compound NameN-[bis[(2-methylpropan-2-yl)oxy]phosphorylmethyl-[(2-methylpropan-2-yl)oxy]phosphanyl]-N-propan-2-ylpropan-2-amine
PubChem CID155228166
Molecular FormulaC19H43NO4P2
Molecular Weight411.50 g/mol
Exact Mass411.27
IUPAC NameN-[bis[(2-methylpropan-2-yl)oxy]phosphorylmethyl-[(2-methylpropan-2-yl)oxy]phosphanyl]-N-propan-2-ylpropan-2-amine
SMILESCC(C)N(C(C)C)P(CP(=O)(OC(C)(C)C)OC(C)(C)C)OC(C)(C)C
InChIInChI=1S/C19H43NO4P2/c1-15(2)20(16(3)4)25(22-17(5,6)7)14-26(21,23-18(8,9)10)24-19(11,12)13/h15-16H,14H2,1-13H3
InChIKeyBYGVWZMHXNDVFR-UHFFFAOYSA-N
XLogP7.01
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.50
LogP ≤ 57.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-[bis[(2-methylpropan-2-yl)oxy]phosphorylmethyl-[(2-methylpropan-2-yl)oxy]phosphanyl]-N-propan-2-ylpropan-2-amine?
The IUPAC name of N-[bis[(2-methylpropan-2-yl)oxy]phosphorylmethyl-[(2-methylpropan-2-yl)oxy]phosphanyl]-N-propan-2-ylpropan-2-amine (CID 155228166) is N-[bis[(2-methylpropan-2-yl)oxy]phosphorylmethyl-[(2-methylpropan-2-yl)oxy]phosphanyl]-N-propan-2-ylpropan-2-amine.
What is the SMILES notation for N-[bis[(2-methylpropan-2-yl)oxy]phosphorylmethyl-[(2-methylpropan-2-yl)oxy]phosphanyl]-N-propan-2-ylpropan-2-amine?
The canonical SMILES for N-[bis[(2-methylpropan-2-yl)oxy]phosphorylmethyl-[(2-methylpropan-2-yl)oxy]phosphanyl]-N-propan-2-ylpropan-2-amine is CC(C)N(C(C)C)P(CP(=O)(OC(C)(C)C)OC(C)(C)C)OC(C)(C)C.
What is the InChIKey of N-[bis[(2-methylpropan-2-yl)oxy]phosphorylmethyl-[(2-methylpropan-2-yl)oxy]phosphanyl]-N-propan-2-ylpropan-2-amine?
The InChIKey is BYGVWZMHXNDVFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H43NO4P2/c1-15(2)20(16(3)4)25(22-17(5,6)7)14-26(21,23-18(8,9)10)24-19(11,12)13/h15-16H,14H2,1-13H3.
What are the key properties of N-[bis[(2-methylpropan-2-yl)oxy]phosphorylmethyl-[(2-methylpropan-2-yl)oxy]phosphanyl]-N-propan-2-ylpropan-2-amine?
N-[bis[(2-methylpropan-2-yl)oxy]phosphorylmethyl-[(2-methylpropan-2-yl)oxy]phosphanyl]-N-propan-2-ylpropan-2-amine has a molecular weight of 411.50 g/mol, XLogP of 7.01, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[bis[(2-methylpropan-2-yl)oxy]phosphorylmethyl-[(2-methylpropan-2-yl)oxy]phosphanyl]-N-propan-2-ylpropan-2-amine is sourced from PubChem (CID 155228166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).