N-dipropoxyphosphoryl-N-propan-2-ylpropan-1-amine

C12H28NO3P — CID 24741655

IUPACN-dipropoxyphosphoryl-N-propan-2-ylpropan-1-amine
SMILESCCCOP(=O)(OCCC)N(CCC)C(C)C
InChIInChI=1S/C12H28NO3P/c1-6-9-13(12(4)5)17(14,15-10-7-2)16-11-8-3/h12H,6-11H2,1-5H3
InChIKeyWYYUJAAXHNJJCN-UHFFFAOYSA-N
MW265.33 g/mol
LogP4.07
Rot. Bonds10

About N-dipropoxyphosphoryl-N-propan-2-ylpropan-1-amine

N-dipropoxyphosphoryl-N-propan-2-ylpropan-1-amine (PubChem CID 24741655) has the molecular formula C12H28NO3P and a molecular weight of 265.33 g/mol. Its IUPAC name is N-dipropoxyphosphoryl-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound NameN-dipropoxyphosphoryl-N-propan-2-ylpropan-1-amine
PubChem CID24741655
Molecular FormulaC12H28NO3P
Molecular Weight265.33 g/mol
Exact Mass265.18
IUPAC NameN-dipropoxyphosphoryl-N-propan-2-ylpropan-1-amine
SMILESCCCOP(=O)(OCCC)N(CCC)C(C)C
InChIInChI=1S/C12H28NO3P/c1-6-9-13(12(4)5)17(14,15-10-7-2)16-11-8-3/h12H,6-11H2,1-5H3
InChIKeyWYYUJAAXHNJJCN-UHFFFAOYSA-N
XLogP4.07
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 54.07
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-dipropoxyphosphoryl-N-propan-2-ylpropan-1-amine?
The IUPAC name of N-dipropoxyphosphoryl-N-propan-2-ylpropan-1-amine (CID 24741655) is N-dipropoxyphosphoryl-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for N-dipropoxyphosphoryl-N-propan-2-ylpropan-1-amine?
The canonical SMILES for N-dipropoxyphosphoryl-N-propan-2-ylpropan-1-amine is CCCOP(=O)(OCCC)N(CCC)C(C)C.
What is the InChIKey of N-dipropoxyphosphoryl-N-propan-2-ylpropan-1-amine?
The InChIKey is WYYUJAAXHNJJCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28NO3P/c1-6-9-13(12(4)5)17(14,15-10-7-2)16-11-8-3/h12H,6-11H2,1-5H3.
What are the key properties of N-dipropoxyphosphoryl-N-propan-2-ylpropan-1-amine?
N-dipropoxyphosphoryl-N-propan-2-ylpropan-1-amine has a molecular weight of 265.33 g/mol, XLogP of 4.07, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-dipropoxyphosphoryl-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 24741655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).