N-tert-butyl-1-diethoxyphosphoryl-2,2-dimethyl-N-[(2-methylpropan-2-yl)oxy]propan-1-amine

C17H38NO4P — CID 11428094

IUPACN-tert-butyl-1-diethoxyphosphoryl-2,2-dimethyl-N-[(2-methylpropan-2-yl)oxy]propan-1-amine
SMILESCCOP(=O)(OCC)C(N(OC(C)(C)C)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C17H38NO4P/c1-12-20-23(19,21-13-2)14(15(3,4)5)18(16(6,7)8)22-17(9,10)11/h14H,12-13H2,1-11H3
InChIKeyWRCNHKZPVSSXHS-UHFFFAOYSA-N
MW351.47 g/mol
LogP5.46
Rot. Bonds7

About N-tert-butyl-1-diethoxyphosphoryl-2,2-dimethyl-N-[(2-methylpropan-2-yl)oxy]propan-1-amine

N-tert-butyl-1-diethoxyphosphoryl-2,2-dimethyl-N-[(2-methylpropan-2-yl)oxy]propan-1-amine (PubChem CID 11428094) has the molecular formula C17H38NO4P and a molecular weight of 351.47 g/mol. Its IUPAC name is N-tert-butyl-1-diethoxyphosphoryl-2,2-dimethyl-N-[(2-methylpropan-2-yl)oxy]propan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-1-diethoxyphosphoryl-2,2-dimethyl-N-[(2-methylpropan-2-yl)oxy]propan-1-amine
PubChem CID11428094
Molecular FormulaC17H38NO4P
Molecular Weight351.47 g/mol
Exact Mass351.25
IUPAC NameN-tert-butyl-1-diethoxyphosphoryl-2,2-dimethyl-N-[(2-methylpropan-2-yl)oxy]propan-1-amine
SMILESCCOP(=O)(OCC)C(N(OC(C)(C)C)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C17H38NO4P/c1-12-20-23(19,21-13-2)14(15(3,4)5)18(16(6,7)8)22-17(9,10)11/h14H,12-13H2,1-11H3
InChIKeyWRCNHKZPVSSXHS-UHFFFAOYSA-N
XLogP5.46
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.47
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-1-diethoxyphosphoryl-2,2-dimethyl-N-[(2-methylpropan-2-yl)oxy]propan-1-amine?
The IUPAC name of N-tert-butyl-1-diethoxyphosphoryl-2,2-dimethyl-N-[(2-methylpropan-2-yl)oxy]propan-1-amine (CID 11428094) is N-tert-butyl-1-diethoxyphosphoryl-2,2-dimethyl-N-[(2-methylpropan-2-yl)oxy]propan-1-amine.
What is the SMILES notation for N-tert-butyl-1-diethoxyphosphoryl-2,2-dimethyl-N-[(2-methylpropan-2-yl)oxy]propan-1-amine?
The canonical SMILES for N-tert-butyl-1-diethoxyphosphoryl-2,2-dimethyl-N-[(2-methylpropan-2-yl)oxy]propan-1-amine is CCOP(=O)(OCC)C(N(OC(C)(C)C)C(C)(C)C)C(C)(C)C.
What is the InChIKey of N-tert-butyl-1-diethoxyphosphoryl-2,2-dimethyl-N-[(2-methylpropan-2-yl)oxy]propan-1-amine?
The InChIKey is WRCNHKZPVSSXHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H38NO4P/c1-12-20-23(19,21-13-2)14(15(3,4)5)18(16(6,7)8)22-17(9,10)11/h14H,12-13H2,1-11H3.
What are the key properties of N-tert-butyl-1-diethoxyphosphoryl-2,2-dimethyl-N-[(2-methylpropan-2-yl)oxy]propan-1-amine?
N-tert-butyl-1-diethoxyphosphoryl-2,2-dimethyl-N-[(2-methylpropan-2-yl)oxy]propan-1-amine has a molecular weight of 351.47 g/mol, XLogP of 5.46, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-1-diethoxyphosphoryl-2,2-dimethyl-N-[(2-methylpropan-2-yl)oxy]propan-1-amine is sourced from PubChem (CID 11428094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).