2-hydroxy-6-propan-2-yl-2,6-diazaspiro[3.3]heptane

C8H16N2O — CID 157227822

IUPAC2-hydroxy-6-propan-2-yl-2,6-diazaspiro[3.3]heptane
SMILESCC(C)N1CC2(CN(O)C2)C1
InChIInChI=1S/C8H16N2O/c1-7(2)9-3-8(4-9)5-10(11)6-8/h7,11H,3-6H2,1-2H3
InChIKeyVQQWOQMAYAWJKP-UHFFFAOYSA-N
MW156.23 g/mol
LogP0.40
Rot. Bonds1

About 2-hydroxy-6-propan-2-yl-2,6-diazaspiro[3.3]heptane

2-hydroxy-6-propan-2-yl-2,6-diazaspiro[3.3]heptane (PubChem CID 157227822) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is 2-hydroxy-6-propan-2-yl-2,6-diazaspiro[3.3]heptane.

Molecular Properties

Compound Name2-hydroxy-6-propan-2-yl-2,6-diazaspiro[3.3]heptane
PubChem CID157227822
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name2-hydroxy-6-propan-2-yl-2,6-diazaspiro[3.3]heptane
SMILESCC(C)N1CC2(CN(O)C2)C1
InChIInChI=1S/C8H16N2O/c1-7(2)9-3-8(4-9)5-10(11)6-8/h7,11H,3-6H2,1-2H3
InChIKeyVQQWOQMAYAWJKP-UHFFFAOYSA-N
XLogP0.40
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-6-propan-2-yl-2,6-diazaspiro[3.3]heptane?
The IUPAC name of 2-hydroxy-6-propan-2-yl-2,6-diazaspiro[3.3]heptane (CID 157227822) is 2-hydroxy-6-propan-2-yl-2,6-diazaspiro[3.3]heptane.
What is the SMILES notation for 2-hydroxy-6-propan-2-yl-2,6-diazaspiro[3.3]heptane?
The canonical SMILES for 2-hydroxy-6-propan-2-yl-2,6-diazaspiro[3.3]heptane is CC(C)N1CC2(CN(O)C2)C1.
What is the InChIKey of 2-hydroxy-6-propan-2-yl-2,6-diazaspiro[3.3]heptane?
The InChIKey is VQQWOQMAYAWJKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c1-7(2)9-3-8(4-9)5-10(11)6-8/h7,11H,3-6H2,1-2H3.
What are the key properties of 2-hydroxy-6-propan-2-yl-2,6-diazaspiro[3.3]heptane?
2-hydroxy-6-propan-2-yl-2,6-diazaspiro[3.3]heptane has a molecular weight of 156.23 g/mol, XLogP of 0.40, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-6-propan-2-yl-2,6-diazaspiro[3.3]heptane is sourced from PubChem (CID 157227822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).