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

C7H16NO2P — CID 12595013

IUPACN,N-diethyl-1,3,2-dioxaphosphinan-2-amine
SMILESCCN(CC)P1OCCCO1
InChIInChI=1S/C7H16NO2P/c1-3-8(4-2)11-9-6-5-7-10-11/h3-7H2,1-2H3
InChIKeyGGZGRKIIBVNTEZ-UHFFFAOYSA-N
MW177.18 g/mol
LogP1.99
Rot. Bonds3

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

N,N-diethyl-1,3,2-dioxaphosphinan-2-amine (PubChem CID 12595013) has the molecular formula C7H16NO2P and a molecular weight of 177.18 g/mol. Its IUPAC name is N,N-diethyl-1,3,2-dioxaphosphinan-2-amine.

Molecular Properties

Compound NameN,N-diethyl-1,3,2-dioxaphosphinan-2-amine
PubChem CID12595013
Molecular FormulaC7H16NO2P
Molecular Weight177.18 g/mol
Exact Mass177.09
IUPAC NameN,N-diethyl-1,3,2-dioxaphosphinan-2-amine
SMILESCCN(CC)P1OCCCO1
InChIInChI=1S/C7H16NO2P/c1-3-8(4-2)11-9-6-5-7-10-11/h3-7H2,1-2H3
InChIKeyGGZGRKIIBVNTEZ-UHFFFAOYSA-N
XLogP1.99
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.18
LogP ≤ 51.99
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-1,3,2-dioxaphosphinan-2-amine?
The IUPAC name of N,N-diethyl-1,3,2-dioxaphosphinan-2-amine (CID 12595013) is N,N-diethyl-1,3,2-dioxaphosphinan-2-amine.
What is the SMILES notation for N,N-diethyl-1,3,2-dioxaphosphinan-2-amine?
The canonical SMILES for N,N-diethyl-1,3,2-dioxaphosphinan-2-amine is CCN(CC)P1OCCCO1.
What is the InChIKey of N,N-diethyl-1,3,2-dioxaphosphinan-2-amine?
The InChIKey is GGZGRKIIBVNTEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16NO2P/c1-3-8(4-2)11-9-6-5-7-10-11/h3-7H2,1-2H3.
What are the key properties of N,N-diethyl-1,3,2-dioxaphosphinan-2-amine?
N,N-diethyl-1,3,2-dioxaphosphinan-2-amine has a molecular weight of 177.18 g/mol, XLogP of 1.99, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1,3,2-dioxaphosphinan-2-amine is sourced from PubChem (CID 12595013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).