N-di(propan-2-yloxy)phosphoryl-N-propan-2-ylpropan-1-amine

C12H28NO3P — CID 24741652

IUPACN-di(propan-2-yloxy)phosphoryl-N-propan-2-ylpropan-1-amine
SMILESCCCN(C(C)C)P(=O)(OC(C)C)OC(C)C
InChIInChI=1S/C12H28NO3P/c1-8-9-13(10(2)3)17(14,15-11(4)5)16-12(6)7/h10-12H,8-9H2,1-7H3
InChIKeyNZFGXXFLEZQANS-UHFFFAOYSA-N
MW265.33 g/mol
LogP4.06
Rot. Bonds8

About N-di(propan-2-yloxy)phosphoryl-N-propan-2-ylpropan-1-amine

N-di(propan-2-yloxy)phosphoryl-N-propan-2-ylpropan-1-amine (PubChem CID 24741652) has the molecular formula C12H28NO3P and a molecular weight of 265.33 g/mol. Its IUPAC name is N-di(propan-2-yloxy)phosphoryl-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound NameN-di(propan-2-yloxy)phosphoryl-N-propan-2-ylpropan-1-amine
PubChem CID24741652
Molecular FormulaC12H28NO3P
Molecular Weight265.33 g/mol
Exact Mass265.18
IUPAC NameN-di(propan-2-yloxy)phosphoryl-N-propan-2-ylpropan-1-amine
SMILESCCCN(C(C)C)P(=O)(OC(C)C)OC(C)C
InChIInChI=1S/C12H28NO3P/c1-8-9-13(10(2)3)17(14,15-11(4)5)16-12(6)7/h10-12H,8-9H2,1-7H3
InChIKeyNZFGXXFLEZQANS-UHFFFAOYSA-N
XLogP4.06
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-di(propan-2-yloxy)phosphoryl-N-propan-2-ylpropan-1-amine?
The IUPAC name of N-di(propan-2-yloxy)phosphoryl-N-propan-2-ylpropan-1-amine (CID 24741652) is N-di(propan-2-yloxy)phosphoryl-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for N-di(propan-2-yloxy)phosphoryl-N-propan-2-ylpropan-1-amine?
The canonical SMILES for N-di(propan-2-yloxy)phosphoryl-N-propan-2-ylpropan-1-amine is CCCN(C(C)C)P(=O)(OC(C)C)OC(C)C.
What is the InChIKey of N-di(propan-2-yloxy)phosphoryl-N-propan-2-ylpropan-1-amine?
The InChIKey is NZFGXXFLEZQANS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28NO3P/c1-8-9-13(10(2)3)17(14,15-11(4)5)16-12(6)7/h10-12H,8-9H2,1-7H3.
What are the key properties of N-di(propan-2-yloxy)phosphoryl-N-propan-2-ylpropan-1-amine?
N-di(propan-2-yloxy)phosphoryl-N-propan-2-ylpropan-1-amine has a molecular weight of 265.33 g/mol, XLogP of 4.06, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-di(propan-2-yloxy)phosphoryl-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 24741652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).