N,N,5,5-tetramethyl-1,3,2-dioxaphosphinan-2-amine

C7H16NO2P — CID 550490

IUPACN,N,5,5-tetramethyl-1,3,2-dioxaphosphinan-2-amine
SMILESCN(C)P1OCC(C)(C)CO1
InChIInChI=1S/C7H16NO2P/c1-7(2)5-9-11(8(3)4)10-6-7/h5-6H2,1-4H3
InChIKeyTZXGTTCMQKPZKT-UHFFFAOYSA-N
MW177.18 g/mol
LogP1.85
Rot. Bonds1

About N,N,5,5-tetramethyl-1,3,2-dioxaphosphinan-2-amine

N,N,5,5-tetramethyl-1,3,2-dioxaphosphinan-2-amine (PubChem CID 550490) has the molecular formula C7H16NO2P and a molecular weight of 177.18 g/mol. Its IUPAC name is N,N,5,5-tetramethyl-1,3,2-dioxaphosphinan-2-amine.

Molecular Properties

Compound NameN,N,5,5-tetramethyl-1,3,2-dioxaphosphinan-2-amine
PubChem CID550490
Molecular FormulaC7H16NO2P
Molecular Weight177.18 g/mol
Exact Mass177.09
IUPAC NameN,N,5,5-tetramethyl-1,3,2-dioxaphosphinan-2-amine
SMILESCN(C)P1OCC(C)(C)CO1
InChIInChI=1S/C7H16NO2P/c1-7(2)5-9-11(8(3)4)10-6-7/h5-6H2,1-4H3
InChIKeyTZXGTTCMQKPZKT-UHFFFAOYSA-N
XLogP1.85
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.18
LogP ≤ 51.85
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,N,5,5-tetramethyl-1,3,2-dioxaphosphinan-2-amine?
The IUPAC name of N,N,5,5-tetramethyl-1,3,2-dioxaphosphinan-2-amine (CID 550490) is N,N,5,5-tetramethyl-1,3,2-dioxaphosphinan-2-amine.
What is the SMILES notation for N,N,5,5-tetramethyl-1,3,2-dioxaphosphinan-2-amine?
The canonical SMILES for N,N,5,5-tetramethyl-1,3,2-dioxaphosphinan-2-amine is CN(C)P1OCC(C)(C)CO1.
What is the InChIKey of N,N,5,5-tetramethyl-1,3,2-dioxaphosphinan-2-amine?
The InChIKey is TZXGTTCMQKPZKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16NO2P/c1-7(2)5-9-11(8(3)4)10-6-7/h5-6H2,1-4H3.
What are the key properties of N,N,5,5-tetramethyl-1,3,2-dioxaphosphinan-2-amine?
N,N,5,5-tetramethyl-1,3,2-dioxaphosphinan-2-amine has a molecular weight of 177.18 g/mol, XLogP of 1.85, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,5,5-tetramethyl-1,3,2-dioxaphosphinan-2-amine is sourced from PubChem (CID 550490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).