N-[bis[(2-methylpropan-2-yl)oxy]phosphoryl]-1,3-dimethyl-1,3-diazinan-2-imine

C14H30N3O3P — CID 168819977

IUPACN-[bis[(2-methylpropan-2-yl)oxy]phosphoryl]-1,3-dimethyl-1,3-diazinan-2-imine
SMILESCN1CCCN(C)C1=NP(=O)(OC(C)(C)C)OC(C)(C)C
InChIInChI=1S/C14H30N3O3P/c1-13(2,3)19-21(18,20-14(4,5)6)15-12-16(7)10-9-11-17(12)8/h9-11H2,1-8H3
InChIKeyQEUXMOGGQXUMHV-UHFFFAOYSA-N
MW319.39 g/mol
LogP3.35
Rot. Bonds3

About N-[bis[(2-methylpropan-2-yl)oxy]phosphoryl]-1,3-dimethyl-1,3-diazinan-2-imine

N-[bis[(2-methylpropan-2-yl)oxy]phosphoryl]-1,3-dimethyl-1,3-diazinan-2-imine (PubChem CID 168819977) has the molecular formula C14H30N3O3P and a molecular weight of 319.39 g/mol. Its IUPAC name is N-[bis[(2-methylpropan-2-yl)oxy]phosphoryl]-1,3-dimethyl-1,3-diazinan-2-imine.

Molecular Properties

Compound NameN-[bis[(2-methylpropan-2-yl)oxy]phosphoryl]-1,3-dimethyl-1,3-diazinan-2-imine
PubChem CID168819977
Molecular FormulaC14H30N3O3P
Molecular Weight319.39 g/mol
Exact Mass319.20
IUPAC NameN-[bis[(2-methylpropan-2-yl)oxy]phosphoryl]-1,3-dimethyl-1,3-diazinan-2-imine
SMILESCN1CCCN(C)C1=NP(=O)(OC(C)(C)C)OC(C)(C)C
InChIInChI=1S/C14H30N3O3P/c1-13(2,3)19-21(18,20-14(4,5)6)15-12-16(7)10-9-11-17(12)8/h9-11H2,1-8H3
InChIKeyQEUXMOGGQXUMHV-UHFFFAOYSA-N
XLogP3.35
TPSA54.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[bis[(2-methylpropan-2-yl)oxy]phosphoryl]-1,3-dimethyl-1,3-diazinan-2-imine?
The IUPAC name of N-[bis[(2-methylpropan-2-yl)oxy]phosphoryl]-1,3-dimethyl-1,3-diazinan-2-imine (CID 168819977) is N-[bis[(2-methylpropan-2-yl)oxy]phosphoryl]-1,3-dimethyl-1,3-diazinan-2-imine.
What is the SMILES notation for N-[bis[(2-methylpropan-2-yl)oxy]phosphoryl]-1,3-dimethyl-1,3-diazinan-2-imine?
The canonical SMILES for N-[bis[(2-methylpropan-2-yl)oxy]phosphoryl]-1,3-dimethyl-1,3-diazinan-2-imine is CN1CCCN(C)C1=NP(=O)(OC(C)(C)C)OC(C)(C)C.
What is the InChIKey of N-[bis[(2-methylpropan-2-yl)oxy]phosphoryl]-1,3-dimethyl-1,3-diazinan-2-imine?
The InChIKey is QEUXMOGGQXUMHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N3O3P/c1-13(2,3)19-21(18,20-14(4,5)6)15-12-16(7)10-9-11-17(12)8/h9-11H2,1-8H3.
What are the key properties of N-[bis[(2-methylpropan-2-yl)oxy]phosphoryl]-1,3-dimethyl-1,3-diazinan-2-imine?
N-[bis[(2-methylpropan-2-yl)oxy]phosphoryl]-1,3-dimethyl-1,3-diazinan-2-imine has a molecular weight of 319.39 g/mol, XLogP of 3.35, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[bis[(2-methylpropan-2-yl)oxy]phosphoryl]-1,3-dimethyl-1,3-diazinan-2-imine is sourced from PubChem (CID 168819977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).