2,2-dimethyl-5-phenyl-1,3-diazinan-5-ol

C12H18N2O — CID 3087470

IUPAC2,2-dimethyl-5-phenyl-1,3-diazinan-5-ol
SMILESCC1(C)NCC(O)(c2ccccc2)CN1
InChIInChI=1S/C12H18N2O/c1-11(2)13-8-12(15,9-14-11)10-6-4-3-5-7-10/h3-7,13-15H,8-9H2,1-2H3
InChIKeyQGGPUQSNSNOZSM-UHFFFAOYSA-N
MW206.29 g/mol
LogP0.80
Rot. Bonds1

About 2,2-dimethyl-5-phenyl-1,3-diazinan-5-ol

2,2-dimethyl-5-phenyl-1,3-diazinan-5-ol (PubChem CID 3087470) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 2,2-dimethyl-5-phenyl-1,3-diazinan-5-ol.

Molecular Properties

Compound Name2,2-dimethyl-5-phenyl-1,3-diazinan-5-ol
PubChem CID3087470
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name2,2-dimethyl-5-phenyl-1,3-diazinan-5-ol
SMILESCC1(C)NCC(O)(c2ccccc2)CN1
InChIInChI=1S/C12H18N2O/c1-11(2)13-8-12(15,9-14-11)10-6-4-3-5-7-10/h3-7,13-15H,8-9H2,1-2H3
InChIKeyQGGPUQSNSNOZSM-UHFFFAOYSA-N
XLogP0.80
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-5-phenyl-1,3-diazinan-5-ol?
The IUPAC name of 2,2-dimethyl-5-phenyl-1,3-diazinan-5-ol (CID 3087470) is 2,2-dimethyl-5-phenyl-1,3-diazinan-5-ol.
What is the SMILES notation for 2,2-dimethyl-5-phenyl-1,3-diazinan-5-ol?
The canonical SMILES for 2,2-dimethyl-5-phenyl-1,3-diazinan-5-ol is CC1(C)NCC(O)(c2ccccc2)CN1.
What is the InChIKey of 2,2-dimethyl-5-phenyl-1,3-diazinan-5-ol?
The InChIKey is QGGPUQSNSNOZSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-11(2)13-8-12(15,9-14-11)10-6-4-3-5-7-10/h3-7,13-15H,8-9H2,1-2H3.
What are the key properties of 2,2-dimethyl-5-phenyl-1,3-diazinan-5-ol?
2,2-dimethyl-5-phenyl-1,3-diazinan-5-ol has a molecular weight of 206.29 g/mol, XLogP of 0.80, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-5-phenyl-1,3-diazinan-5-ol is sourced from PubChem (CID 3087470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).