5,5-dimethyl-1-propan-2-yl-1,3-diazinan-2-ol

C9H20N2O — CID 177170920

IUPAC5,5-dimethyl-1-propan-2-yl-1,3-diazinan-2-ol
SMILESCC(C)N1CC(C)(C)CNC1O
InChIInChI=1S/C9H20N2O/c1-7(2)11-6-9(3,4)5-10-8(11)12/h7-8,10,12H,5-6H2,1-4H3
InChIKeyWKHLSOOOLRPCJE-UHFFFAOYSA-N
MW172.27 g/mol
LogP0.60
Rot. Bonds1

About 5,5-dimethyl-1-propan-2-yl-1,3-diazinan-2-ol

5,5-dimethyl-1-propan-2-yl-1,3-diazinan-2-ol (PubChem CID 177170920) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is 5,5-dimethyl-1-propan-2-yl-1,3-diazinan-2-ol.

Molecular Properties

Compound Name5,5-dimethyl-1-propan-2-yl-1,3-diazinan-2-ol
PubChem CID177170920
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name5,5-dimethyl-1-propan-2-yl-1,3-diazinan-2-ol
SMILESCC(C)N1CC(C)(C)CNC1O
InChIInChI=1S/C9H20N2O/c1-7(2)11-6-9(3,4)5-10-8(11)12/h7-8,10,12H,5-6H2,1-4H3
InChIKeyWKHLSOOOLRPCJE-UHFFFAOYSA-N
XLogP0.60
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2S)-3,3-dimethyl-2-(methylamino)butyl]-3-methyl-1,3-diazinan-2-ol
CID 143105374
Methanol;1-(methylaminomethyl)piperidin-4-amine
CID 143586103
Amino-[(1-ethylpiperidin-4-yl)-methylamino]methanol
CID 144072124
1-Propan-2-yl-1,3-diazinan-2-ol
CID 167308409
1-Tert-butyl-1,3-diazinan-2-ol
CID 170005189
[Di(propan-2-yl)amino]-[[3-[[[di(propan-2-yl)amino]-hydroxymethyl]amino]-2,2-dimethylpropyl]amino]methanol
CID 134851214

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-1-propan-2-yl-1,3-diazinan-2-ol?
The IUPAC name of 5,5-dimethyl-1-propan-2-yl-1,3-diazinan-2-ol (CID 177170920) is 5,5-dimethyl-1-propan-2-yl-1,3-diazinan-2-ol.
What is the SMILES notation for 5,5-dimethyl-1-propan-2-yl-1,3-diazinan-2-ol?
The canonical SMILES for 5,5-dimethyl-1-propan-2-yl-1,3-diazinan-2-ol is CC(C)N1CC(C)(C)CNC1O.
What is the InChIKey of 5,5-dimethyl-1-propan-2-yl-1,3-diazinan-2-ol?
The InChIKey is WKHLSOOOLRPCJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-7(2)11-6-9(3,4)5-10-8(11)12/h7-8,10,12H,5-6H2,1-4H3.
What are the key properties of 5,5-dimethyl-1-propan-2-yl-1,3-diazinan-2-ol?
5,5-dimethyl-1-propan-2-yl-1,3-diazinan-2-ol has a molecular weight of 172.27 g/mol, XLogP of 0.60, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-1-propan-2-yl-1,3-diazinan-2-ol is sourced from PubChem (CID 177170920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).