2-diaminophosphoryloxy-2,3-dimethylbutane

C6H17N2O2P — CID 88798989

IUPAC2-diaminophosphoryloxy-2,3-dimethylbutane
SMILESCC(C)C(C)(C)OP(N)(N)=O
InChIInChI=1S/C6H17N2O2P/c1-5(2)6(3,4)10-11(7,8)9/h5H,1-4H3,(H4,7,8,9)
InChIKeyTWISIPQVQAMPTL-UHFFFAOYSA-N
MW180.19 g/mol
LogP1.46
Rot. Bonds3

About 2-diaminophosphoryloxy-2,3-dimethylbutane

2-diaminophosphoryloxy-2,3-dimethylbutane (PubChem CID 88798989) has the molecular formula C6H17N2O2P and a molecular weight of 180.19 g/mol. Its IUPAC name is 2-diaminophosphoryloxy-2,3-dimethylbutane.

Molecular Properties

Compound Name2-diaminophosphoryloxy-2,3-dimethylbutane
PubChem CID88798989
Molecular FormulaC6H17N2O2P
Molecular Weight180.19 g/mol
Exact Mass180.10
IUPAC Name2-diaminophosphoryloxy-2,3-dimethylbutane
SMILESCC(C)C(C)(C)OP(N)(N)=O
InChIInChI=1S/C6H17N2O2P/c1-5(2)6(3,4)10-11(7,8)9/h5H,1-4H3,(H4,7,8,9)
InChIKeyTWISIPQVQAMPTL-UHFFFAOYSA-N
XLogP1.46
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.19
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

O-(2,3-dimethylbutan-2-yl)hydroxylamine
CID 22013600
2,3-dimethylbutan-2-yl carbamate
CID 20975410
(5-amino-1,3,3-trimethylcyclohexyl)-(2,3-dimethylbutan-2-yloxy)phosphinic acid
CID 88835149
2,3-dimethylbutan-2-yl hydrogen sulfite
CID 57072346
1-[1-carboxyoxyethoxy(2,3-dimethylbutan-2-yloxy)phosphoryl]oxyethyl acetate
CID 160801793
2,3-dimethylbutan-2-yloxy(oxo)phosphanium;titanium
CID 157296443
[2-(1-aminoethoxy)-3-methylbutan-2-yl]phosphonic acid
CID 173067047
2,3-dimethylbutan-2-yloxy 2-methylpropaneperoxoate
CID 89427724
(4-hydroxy-2-methylbutan-2-yl)oxyphosphonamidic acid
CID 87319148
tris(2,3-dimethylheptan-2-yl) phosphate
CID 87189657
bis(2,3-dimethylhexan-2-yl) hydrogen phosphate
CID 175385413
2-methyl-2-[methyl(propan-2-yloxy)phosphoryl]oxypropane
CID 171057571

Frequently Asked Questions

What is the IUPAC name of 2-diaminophosphoryloxy-2,3-dimethylbutane?
The IUPAC name of 2-diaminophosphoryloxy-2,3-dimethylbutane (CID 88798989) is 2-diaminophosphoryloxy-2,3-dimethylbutane.
What is the SMILES notation for 2-diaminophosphoryloxy-2,3-dimethylbutane?
The canonical SMILES for 2-diaminophosphoryloxy-2,3-dimethylbutane is CC(C)C(C)(C)OP(N)(N)=O.
What is the InChIKey of 2-diaminophosphoryloxy-2,3-dimethylbutane?
The InChIKey is TWISIPQVQAMPTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H17N2O2P/c1-5(2)6(3,4)10-11(7,8)9/h5H,1-4H3,(H4,7,8,9).
What are the key properties of 2-diaminophosphoryloxy-2,3-dimethylbutane?
2-diaminophosphoryloxy-2,3-dimethylbutane has a molecular weight of 180.19 g/mol, XLogP of 1.46, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diaminophosphoryloxy-2,3-dimethylbutane is sourced from PubChem (CID 88798989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).