2-diethoxyphosphoryl-2-methylpropan-1-amine

C8H20NO3P — CID 58928684

IUPAC2-diethoxyphosphoryl-2-methylpropan-1-amine
SMILESCCOP(=O)(OCC)C(C)(C)CN
InChIInChI=1S/C8H20NO3P/c1-5-11-13(10,12-6-2)8(3,4)7-9/h5-7,9H2,1-4H3
InChIKeyPVKVYHKKBLSHGD-UHFFFAOYSA-N
MW209.23 g/mol
LogP1.99
Rot. Bonds6

About 2-diethoxyphosphoryl-2-methylpropan-1-amine

2-diethoxyphosphoryl-2-methylpropan-1-amine (PubChem CID 58928684) has the molecular formula C8H20NO3P and a molecular weight of 209.23 g/mol. Its IUPAC name is 2-diethoxyphosphoryl-2-methylpropan-1-amine.

Molecular Properties

Compound Name2-diethoxyphosphoryl-2-methylpropan-1-amine
PubChem CID58928684
Molecular FormulaC8H20NO3P
Molecular Weight209.23 g/mol
Exact Mass209.12
IUPAC Name2-diethoxyphosphoryl-2-methylpropan-1-amine
SMILESCCOP(=O)(OCC)C(C)(C)CN
InChIInChI=1S/C8H20NO3P/c1-5-11-13(10,12-6-2)8(3,4)7-9/h5-7,9H2,1-4H3
InChIKeyPVKVYHKKBLSHGD-UHFFFAOYSA-N
XLogP1.99
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.23
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[ethoxy(propan-2-yloxy)phosphoryl]propan-2-ol
CID 12012614
2-diethoxyphosphoryl-2-[ethoxy(methyl)phosphoryl]propane
CID 21197647
2-diethoxyphosphoryl-4-methylpentan-2-amine
CID 14742051
3-chloro-2-diethoxyphosphorylbutan-2-ol
CID 12591813
3-diethoxyphosphoryl-3-methylbutan-2-one
CID 14267358
4-diethoxyphosphoryl-4,4-difluorobutan-1-amine;hydrochloride
CID 86678297
ethyl 2-diethoxyphosphoryl-2-methyl-3-oxobutanoate
CID 164685818
diaminophosphoryloxyethane
CID 12620494
butyl 2-diethoxyphosphoryl-2-methylpropanoate
CID 89247913
1-bromo-2-diethoxyphosphoryl-1,1,2,2-tetrafluoroethane
CID 11130909
1,1-diethoxyethyl(ethoxy)phosphinic acid
CID 150387387
triethyl phosphate;bis(trimethylsilane)
CID 175760856

Frequently Asked Questions

What is the IUPAC name of 2-diethoxyphosphoryl-2-methylpropan-1-amine?
The IUPAC name of 2-diethoxyphosphoryl-2-methylpropan-1-amine (CID 58928684) is 2-diethoxyphosphoryl-2-methylpropan-1-amine.
What is the SMILES notation for 2-diethoxyphosphoryl-2-methylpropan-1-amine?
The canonical SMILES for 2-diethoxyphosphoryl-2-methylpropan-1-amine is CCOP(=O)(OCC)C(C)(C)CN.
What is the InChIKey of 2-diethoxyphosphoryl-2-methylpropan-1-amine?
The InChIKey is PVKVYHKKBLSHGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20NO3P/c1-5-11-13(10,12-6-2)8(3,4)7-9/h5-7,9H2,1-4H3.
What are the key properties of 2-diethoxyphosphoryl-2-methylpropan-1-amine?
2-diethoxyphosphoryl-2-methylpropan-1-amine has a molecular weight of 209.23 g/mol, XLogP of 1.99, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diethoxyphosphoryl-2-methylpropan-1-amine is sourced from PubChem (CID 58928684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).