2-diethoxyphosphoryl-4-methylpentan-2-amine

C10H24NO3P — CID 14742051

IUPAC2-diethoxyphosphoryl-4-methylpentan-2-amine
SMILESCCOP(=O)(OCC)C(C)(N)CC(C)C
InChIInChI=1S/C10H24NO3P/c1-6-13-15(12,14-7-2)10(5,11)8-9(3)4/h9H,6-8,11H2,1-5H3
InChIKeyBKOANBPSKKAGCW-UHFFFAOYSA-N
MW237.28 g/mol
LogP2.97
Rot. Bonds7

About 2-diethoxyphosphoryl-4-methylpentan-2-amine

2-diethoxyphosphoryl-4-methylpentan-2-amine (PubChem CID 14742051) has the molecular formula C10H24NO3P and a molecular weight of 237.28 g/mol. Its IUPAC name is 2-diethoxyphosphoryl-4-methylpentan-2-amine.

Molecular Properties

Compound Name2-diethoxyphosphoryl-4-methylpentan-2-amine
PubChem CID14742051
Molecular FormulaC10H24NO3P
Molecular Weight237.28 g/mol
Exact Mass237.15
IUPAC Name2-diethoxyphosphoryl-4-methylpentan-2-amine
SMILESCCOP(=O)(OCC)C(C)(N)CC(C)C
InChIInChI=1S/C10H24NO3P/c1-6-13-15(12,14-7-2)10(5,11)8-9(3)4/h9H,6-8,11H2,1-5H3
InChIKeyBKOANBPSKKAGCW-UHFFFAOYSA-N
XLogP2.97
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 52.97
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

[(2S)-2-amino-4-methylpentan-2-yl]phosphonic acid
CID 7167688
(2-amino-4-methylpentan-2-yl)phosphonic acid;hydrate
CID 53393196
2-diethoxyphosphoryl-2-methylpropan-1-amine
CID 58928684
3-chloro-2-diethoxyphosphorylbutan-2-ol
CID 12591813
2-[ethoxy(propan-2-yloxy)phosphoryl]propan-2-ol
CID 12012614
(1-diethoxyphosphoryl-1-fluoro-4-methylpentyl)-trimethylsilane
CID 10686582
ethyl 2-diethoxyphosphoryl-2-methyl-3-oxobutanoate
CID 164685818
2-diethoxyphosphoryl-2-[ethoxy(methyl)phosphoryl]propane
CID 21197647
3-diethoxyphosphoryl-2,2,5-trimethylhexane
CID 87328302
3-diethoxyphosphoryl-3-methylbutan-2-one
CID 14267358
1-diethoxyphosphorylethanamine
CID 5149858
(2S,3R)-1-[tert-butyl(dimethyl)silyl]oxy-4-diethoxyphosphoryl-4,4-difluoro-3-methylbutan-2-amine
CID 10786574

Frequently Asked Questions

What is the IUPAC name of 2-diethoxyphosphoryl-4-methylpentan-2-amine?
The IUPAC name of 2-diethoxyphosphoryl-4-methylpentan-2-amine (CID 14742051) is 2-diethoxyphosphoryl-4-methylpentan-2-amine.
What is the SMILES notation for 2-diethoxyphosphoryl-4-methylpentan-2-amine?
The canonical SMILES for 2-diethoxyphosphoryl-4-methylpentan-2-amine is CCOP(=O)(OCC)C(C)(N)CC(C)C.
What is the InChIKey of 2-diethoxyphosphoryl-4-methylpentan-2-amine?
The InChIKey is BKOANBPSKKAGCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24NO3P/c1-6-13-15(12,14-7-2)10(5,11)8-9(3)4/h9H,6-8,11H2,1-5H3.
What are the key properties of 2-diethoxyphosphoryl-4-methylpentan-2-amine?
2-diethoxyphosphoryl-4-methylpentan-2-amine has a molecular weight of 237.28 g/mol, XLogP of 2.97, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diethoxyphosphoryl-4-methylpentan-2-amine is sourced from PubChem (CID 14742051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).