N-tert-butyl-1-diethoxyphosphoryl-N-methoxy-2,2-dimethylpropan-1-amine

C14H32NO4P — CID 59335430

IUPACN-tert-butyl-1-diethoxyphosphoryl-N-methoxy-2,2-dimethylpropan-1-amine
SMILESCCOP(=O)(OCC)C(N(OC)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C14H32NO4P/c1-10-18-20(16,19-11-2)12(13(3,4)5)15(17-9)14(6,7)8/h12H,10-11H2,1-9H3
InChIKeyNLCFHVYUPMIDAN-UHFFFAOYSA-N
MW309.39 g/mol
LogP4.29
Rot. Bonds7

About N-tert-butyl-1-diethoxyphosphoryl-N-methoxy-2,2-dimethylpropan-1-amine

N-tert-butyl-1-diethoxyphosphoryl-N-methoxy-2,2-dimethylpropan-1-amine (PubChem CID 59335430) has the molecular formula C14H32NO4P and a molecular weight of 309.39 g/mol. Its IUPAC name is N-tert-butyl-1-diethoxyphosphoryl-N-methoxy-2,2-dimethylpropan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-1-diethoxyphosphoryl-N-methoxy-2,2-dimethylpropan-1-amine
PubChem CID59335430
Molecular FormulaC14H32NO4P
Molecular Weight309.39 g/mol
Exact Mass309.21
IUPAC NameN-tert-butyl-1-diethoxyphosphoryl-N-methoxy-2,2-dimethylpropan-1-amine
SMILESCCOP(=O)(OCC)C(N(OC)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C14H32NO4P/c1-10-18-20(16,19-11-2)12(13(3,4)5)15(17-9)14(6,7)8/h12H,10-11H2,1-9H3
InChIKeyNLCFHVYUPMIDAN-UHFFFAOYSA-N
XLogP4.29
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 54.29
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-N-methoxy-2,2-dimethylpropan-1-amine?
The IUPAC name of N-tert-butyl-1-diethoxyphosphoryl-N-methoxy-2,2-dimethylpropan-1-amine (CID 59335430) is N-tert-butyl-1-diethoxyphosphoryl-N-methoxy-2,2-dimethylpropan-1-amine.
What is the SMILES notation for N-tert-butyl-1-diethoxyphosphoryl-N-methoxy-2,2-dimethylpropan-1-amine?
The canonical SMILES for N-tert-butyl-1-diethoxyphosphoryl-N-methoxy-2,2-dimethylpropan-1-amine is CCOP(=O)(OCC)C(N(OC)C(C)(C)C)C(C)(C)C.
What is the InChIKey of N-tert-butyl-1-diethoxyphosphoryl-N-methoxy-2,2-dimethylpropan-1-amine?
The InChIKey is NLCFHVYUPMIDAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32NO4P/c1-10-18-20(16,19-11-2)12(13(3,4)5)15(17-9)14(6,7)8/h12H,10-11H2,1-9H3.
What are the key properties of N-tert-butyl-1-diethoxyphosphoryl-N-methoxy-2,2-dimethylpropan-1-amine?
N-tert-butyl-1-diethoxyphosphoryl-N-methoxy-2,2-dimethylpropan-1-amine has a molecular weight of 309.39 g/mol, XLogP of 4.29, 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-N-methoxy-2,2-dimethylpropan-1-amine is sourced from PubChem (CID 59335430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).