2-butan-2-yloxy-N-[dimethylamino(methoxy)phosphoryl]oxybutan-1-amine

C11H27N2O4P — CID 135224248

IUPAC2-butan-2-yloxy-N-[dimethylamino(methoxy)phosphoryl]oxybutan-1-amine
SMILESCCC(C)OC(CC)CNOP(=O)(OC)N(C)C
InChIInChI=1S/C11H27N2O4P/c1-7-10(3)16-11(8-2)9-12-17-18(14,15-6)13(4)5/h10-12H,7-9H2,1-6H3
InChIKeyQJDOHRRRAGEJAT-UHFFFAOYSA-N
MW282.32 g/mol
LogP2.42
Rot. Bonds10

About 2-butan-2-yloxy-N-[dimethylamino(methoxy)phosphoryl]oxybutan-1-amine

2-butan-2-yloxy-N-[dimethylamino(methoxy)phosphoryl]oxybutan-1-amine (PubChem CID 135224248) has the molecular formula C11H27N2O4P and a molecular weight of 282.32 g/mol. Its IUPAC name is 2-butan-2-yloxy-N-[dimethylamino(methoxy)phosphoryl]oxybutan-1-amine.

Molecular Properties

Compound Name2-butan-2-yloxy-N-[dimethylamino(methoxy)phosphoryl]oxybutan-1-amine
PubChem CID135224248
Molecular FormulaC11H27N2O4P
Molecular Weight282.32 g/mol
Exact Mass282.17
IUPAC Name2-butan-2-yloxy-N-[dimethylamino(methoxy)phosphoryl]oxybutan-1-amine
SMILESCCC(C)OC(CC)CNOP(=O)(OC)N(C)C
InChIInChI=1S/C11H27N2O4P/c1-7-10(3)16-11(8-2)9-12-17-18(14,15-6)13(4)5/h10-12H,7-9H2,1-6H3
InChIKeyQJDOHRRRAGEJAT-UHFFFAOYSA-N
XLogP2.42
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 52.42
H-Bond Donors ≤ 51
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 2-butan-2-yloxy-N-[dimethylamino(methoxy)phosphoryl]oxybutan-1-amine?
The IUPAC name of 2-butan-2-yloxy-N-[dimethylamino(methoxy)phosphoryl]oxybutan-1-amine (CID 135224248) is 2-butan-2-yloxy-N-[dimethylamino(methoxy)phosphoryl]oxybutan-1-amine.
What is the SMILES notation for 2-butan-2-yloxy-N-[dimethylamino(methoxy)phosphoryl]oxybutan-1-amine?
The canonical SMILES for 2-butan-2-yloxy-N-[dimethylamino(methoxy)phosphoryl]oxybutan-1-amine is CCC(C)OC(CC)CNOP(=O)(OC)N(C)C.
What is the InChIKey of 2-butan-2-yloxy-N-[dimethylamino(methoxy)phosphoryl]oxybutan-1-amine?
The InChIKey is QJDOHRRRAGEJAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H27N2O4P/c1-7-10(3)16-11(8-2)9-12-17-18(14,15-6)13(4)5/h10-12H,7-9H2,1-6H3.
What are the key properties of 2-butan-2-yloxy-N-[dimethylamino(methoxy)phosphoryl]oxybutan-1-amine?
2-butan-2-yloxy-N-[dimethylamino(methoxy)phosphoryl]oxybutan-1-amine has a molecular weight of 282.32 g/mol, XLogP of 2.42, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yloxy-N-[dimethylamino(methoxy)phosphoryl]oxybutan-1-amine is sourced from PubChem (CID 135224248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).