N,N-diethyl-5,5-dimethyl-1,3,2-dioxaphosphinan-2-amine

C9H20NO2P — CID 10703420

IUPACN,N-diethyl-5,5-dimethyl-1,3,2-dioxaphosphinan-2-amine
SMILESCCN(CC)P1OCC(C)(C)CO1
InChIInChI=1S/C9H20NO2P/c1-5-10(6-2)13-11-7-9(3,4)8-12-13/h5-8H2,1-4H3
InChIKeyHMKRCNCJQYRJEN-UHFFFAOYSA-N
MW205.24 g/mol
LogP2.63
Rot. Bonds3

About N,N-diethyl-5,5-dimethyl-1,3,2-dioxaphosphinan-2-amine

N,N-diethyl-5,5-dimethyl-1,3,2-dioxaphosphinan-2-amine (PubChem CID 10703420) has the molecular formula C9H20NO2P and a molecular weight of 205.24 g/mol. Its IUPAC name is N,N-diethyl-5,5-dimethyl-1,3,2-dioxaphosphinan-2-amine.

Molecular Properties

Compound NameN,N-diethyl-5,5-dimethyl-1,3,2-dioxaphosphinan-2-amine
PubChem CID10703420
Molecular FormulaC9H20NO2P
Molecular Weight205.24 g/mol
Exact Mass205.12
IUPAC NameN,N-diethyl-5,5-dimethyl-1,3,2-dioxaphosphinan-2-amine
SMILESCCN(CC)P1OCC(C)(C)CO1
InChIInChI=1S/C9H20NO2P/c1-5-10(6-2)13-11-7-9(3,4)8-12-13/h5-8H2,1-4H3
InChIKeyHMKRCNCJQYRJEN-UHFFFAOYSA-N
XLogP2.63
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.24
LogP ≤ 52.63
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-diethyl-5,5-dimethyl-1,3,2-dioxaphosphinan-2-amine?
The IUPAC name of N,N-diethyl-5,5-dimethyl-1,3,2-dioxaphosphinan-2-amine (CID 10703420) is N,N-diethyl-5,5-dimethyl-1,3,2-dioxaphosphinan-2-amine.
What is the SMILES notation for N,N-diethyl-5,5-dimethyl-1,3,2-dioxaphosphinan-2-amine?
The canonical SMILES for N,N-diethyl-5,5-dimethyl-1,3,2-dioxaphosphinan-2-amine is CCN(CC)P1OCC(C)(C)CO1.
What is the InChIKey of N,N-diethyl-5,5-dimethyl-1,3,2-dioxaphosphinan-2-amine?
The InChIKey is HMKRCNCJQYRJEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20NO2P/c1-5-10(6-2)13-11-7-9(3,4)8-12-13/h5-8H2,1-4H3.
What are the key properties of N,N-diethyl-5,5-dimethyl-1,3,2-dioxaphosphinan-2-amine?
N,N-diethyl-5,5-dimethyl-1,3,2-dioxaphosphinan-2-amine has a molecular weight of 205.24 g/mol, XLogP of 2.63, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-5,5-dimethyl-1,3,2-dioxaphosphinan-2-amine is sourced from PubChem (CID 10703420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).