N-diethoxyphosphanyl-N-(diethoxyphosphorylmethyl)propan-2-amine

C12H29NO5P2 — CID 23273256

IUPACN-diethoxyphosphanyl-N-(diethoxyphosphorylmethyl)propan-2-amine
SMILESCCOP(OCC)N(CP(=O)(OCC)OCC)C(C)C
InChIInChI=1S/C12H29NO5P2/c1-7-15-19(16-8-2)13(12(5)6)11-20(14,17-9-3)18-10-4/h12H,7-11H2,1-6H3
InChIKeyDOBBHESAGJFLGX-UHFFFAOYSA-N
MW329.31 g/mol
LogP4.22
Rot. Bonds12

About N-diethoxyphosphanyl-N-(diethoxyphosphorylmethyl)propan-2-amine

N-diethoxyphosphanyl-N-(diethoxyphosphorylmethyl)propan-2-amine (PubChem CID 23273256) has the molecular formula C12H29NO5P2 and a molecular weight of 329.31 g/mol. Its IUPAC name is N-diethoxyphosphanyl-N-(diethoxyphosphorylmethyl)propan-2-amine.

Molecular Properties

Compound NameN-diethoxyphosphanyl-N-(diethoxyphosphorylmethyl)propan-2-amine
PubChem CID23273256
Molecular FormulaC12H29NO5P2
Molecular Weight329.31 g/mol
Exact Mass329.15
IUPAC NameN-diethoxyphosphanyl-N-(diethoxyphosphorylmethyl)propan-2-amine
SMILESCCOP(OCC)N(CP(=O)(OCC)OCC)C(C)C
InChIInChI=1S/C12H29NO5P2/c1-7-15-19(16-8-2)13(12(5)6)11-20(14,17-9-3)18-10-4/h12H,7-11H2,1-6H3
InChIKeyDOBBHESAGJFLGX-UHFFFAOYSA-N
XLogP4.22
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.31
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-diethoxyphosphanyl-N-(diethoxyphosphorylmethyl)propan-2-amine?
The IUPAC name of N-diethoxyphosphanyl-N-(diethoxyphosphorylmethyl)propan-2-amine (CID 23273256) is N-diethoxyphosphanyl-N-(diethoxyphosphorylmethyl)propan-2-amine.
What is the SMILES notation for N-diethoxyphosphanyl-N-(diethoxyphosphorylmethyl)propan-2-amine?
The canonical SMILES for N-diethoxyphosphanyl-N-(diethoxyphosphorylmethyl)propan-2-amine is CCOP(OCC)N(CP(=O)(OCC)OCC)C(C)C.
What is the InChIKey of N-diethoxyphosphanyl-N-(diethoxyphosphorylmethyl)propan-2-amine?
The InChIKey is DOBBHESAGJFLGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H29NO5P2/c1-7-15-19(16-8-2)13(12(5)6)11-20(14,17-9-3)18-10-4/h12H,7-11H2,1-6H3.
What are the key properties of N-diethoxyphosphanyl-N-(diethoxyphosphorylmethyl)propan-2-amine?
N-diethoxyphosphanyl-N-(diethoxyphosphorylmethyl)propan-2-amine has a molecular weight of 329.31 g/mol, XLogP of 4.22, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-diethoxyphosphanyl-N-(diethoxyphosphorylmethyl)propan-2-amine is sourced from PubChem (CID 23273256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).