N-butyl-N,5,5-trimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-amine

C10H22NO3P — CID 10537710

IUPACN-butyl-N,5,5-trimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-amine
SMILESCCCCN(C)P1(=O)OCC(C)(C)CO1
InChIInChI=1S/C10H22NO3P/c1-5-6-7-11(4)15(12)13-8-10(2,3)9-14-15/h5-9H2,1-4H3
InChIKeyUAAWSOHUKNORPG-UHFFFAOYSA-N
MW235.26 g/mol
LogP2.90
Rot. Bonds4

About N-butyl-N,5,5-trimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-amine

N-butyl-N,5,5-trimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-amine (PubChem CID 10537710) has the molecular formula C10H22NO3P and a molecular weight of 235.26 g/mol. Its IUPAC name is N-butyl-N,5,5-trimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-amine.

Molecular Properties

Compound NameN-butyl-N,5,5-trimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-amine
PubChem CID10537710
Molecular FormulaC10H22NO3P
Molecular Weight235.26 g/mol
Exact Mass235.13
IUPAC NameN-butyl-N,5,5-trimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-amine
SMILESCCCCN(C)P1(=O)OCC(C)(C)CO1
InChIInChI=1S/C10H22NO3P/c1-5-6-7-11(4)15(12)13-8-10(2,3)9-14-15/h5-9H2,1-4H3
InChIKeyUAAWSOHUKNORPG-UHFFFAOYSA-N
XLogP2.90
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.26
LogP ≤ 52.90
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-butyl-N,5,5-trimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-amine?
The IUPAC name of N-butyl-N,5,5-trimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-amine (CID 10537710) is N-butyl-N,5,5-trimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-amine.
What is the SMILES notation for N-butyl-N,5,5-trimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-amine?
The canonical SMILES for N-butyl-N,5,5-trimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-amine is CCCCN(C)P1(=O)OCC(C)(C)CO1.
What is the InChIKey of N-butyl-N,5,5-trimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-amine?
The InChIKey is UAAWSOHUKNORPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22NO3P/c1-5-6-7-11(4)15(12)13-8-10(2,3)9-14-15/h5-9H2,1-4H3.
What are the key properties of N-butyl-N,5,5-trimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-amine?
N-butyl-N,5,5-trimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-amine has a molecular weight of 235.26 g/mol, XLogP of 2.90, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N,5,5-trimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-amine is sourced from PubChem (CID 10537710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).