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

C4H10NO2P — CID 69469209

IUPACN-methyl-1,3,5-dioxaphosphinan-2-amine
SMILESCNC1OCPCO1
InChIInChI=1S/C4H10NO2P/c1-5-4-6-2-8-3-7-4/h4-5,8H,2-3H2,1H3
InChIKeyBGTJCAOSJCEPSF-UHFFFAOYSA-N
MW135.10 g/mol
LogP0.13
Rot. Bonds1

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

N-methyl-1,3,5-dioxaphosphinan-2-amine (PubChem CID 69469209) has the molecular formula C4H10NO2P and a molecular weight of 135.10 g/mol. Its IUPAC name is N-methyl-1,3,5-dioxaphosphinan-2-amine.

Molecular Properties

Compound NameN-methyl-1,3,5-dioxaphosphinan-2-amine
PubChem CID69469209
Molecular FormulaC4H10NO2P
Molecular Weight135.10 g/mol
Exact Mass135.04
IUPAC NameN-methyl-1,3,5-dioxaphosphinan-2-amine
SMILESCNC1OCPCO1
InChIInChI=1S/C4H10NO2P/c1-5-4-6-2-8-3-7-4/h4-5,8H,2-3H2,1H3
InChIKeyBGTJCAOSJCEPSF-UHFFFAOYSA-N
XLogP0.13
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.10
LogP ≤ 50.13
H-Bond Donors ≤ 51
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-methyl-1,3,5-dioxaphosphinan-2-amine?
The IUPAC name of N-methyl-1,3,5-dioxaphosphinan-2-amine (CID 69469209) is N-methyl-1,3,5-dioxaphosphinan-2-amine.
What is the SMILES notation for N-methyl-1,3,5-dioxaphosphinan-2-amine?
The canonical SMILES for N-methyl-1,3,5-dioxaphosphinan-2-amine is CNC1OCPCO1.
What is the InChIKey of N-methyl-1,3,5-dioxaphosphinan-2-amine?
The InChIKey is BGTJCAOSJCEPSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10NO2P/c1-5-4-6-2-8-3-7-4/h4-5,8H,2-3H2,1H3.
What are the key properties of N-methyl-1,3,5-dioxaphosphinan-2-amine?
N-methyl-1,3,5-dioxaphosphinan-2-amine has a molecular weight of 135.10 g/mol, XLogP of 0.13, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1,3,5-dioxaphosphinan-2-amine is sourced from PubChem (CID 69469209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).