3-hydroxy-1,2,2,4,4,5,5,6-octamethyl-3-azabicyclo[4.1.0]heptane

C14H27NO — CID 22947962

IUPAC3-hydroxy-1,2,2,4,4,5,5,6-octamethyl-3-azabicyclo[4.1.0]heptane
SMILESCC1(C)N(O)C(C)(C)C2(C)CC2(C)C1(C)C
InChIInChI=1S/C14H27NO/c1-10(2)11(3,4)15(16)12(5,6)14(8)9-13(10,14)7/h16H,9H2,1-8H3
InChIKeyYWHAYQPFDZZICX-UHFFFAOYSA-N
MW225.38 g/mol
LogP3.69
Rot. Bonds

About 3-hydroxy-1,2,2,4,4,5,5,6-octamethyl-3-azabicyclo[4.1.0]heptane

3-hydroxy-1,2,2,4,4,5,5,6-octamethyl-3-azabicyclo[4.1.0]heptane (PubChem CID 22947962) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 3-hydroxy-1,2,2,4,4,5,5,6-octamethyl-3-azabicyclo[4.1.0]heptane.

Molecular Properties

Compound Name3-hydroxy-1,2,2,4,4,5,5,6-octamethyl-3-azabicyclo[4.1.0]heptane
PubChem CID22947962
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name3-hydroxy-1,2,2,4,4,5,5,6-octamethyl-3-azabicyclo[4.1.0]heptane
SMILESCC1(C)N(O)C(C)(C)C2(C)CC2(C)C1(C)C
InChIInChI=1S/C14H27NO/c1-10(2)11(3,4)15(16)12(5,6)14(8)9-13(10,14)7/h16H,9H2,1-8H3
InChIKeyYWHAYQPFDZZICX-UHFFFAOYSA-N
XLogP3.69
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1,2,2,4,4,5,5,6-octamethyl-3-azabicyclo[4.1.0]heptane?
The IUPAC name of 3-hydroxy-1,2,2,4,4,5,5,6-octamethyl-3-azabicyclo[4.1.0]heptane (CID 22947962) is 3-hydroxy-1,2,2,4,4,5,5,6-octamethyl-3-azabicyclo[4.1.0]heptane.
What is the SMILES notation for 3-hydroxy-1,2,2,4,4,5,5,6-octamethyl-3-azabicyclo[4.1.0]heptane?
The canonical SMILES for 3-hydroxy-1,2,2,4,4,5,5,6-octamethyl-3-azabicyclo[4.1.0]heptane is CC1(C)N(O)C(C)(C)C2(C)CC2(C)C1(C)C.
What is the InChIKey of 3-hydroxy-1,2,2,4,4,5,5,6-octamethyl-3-azabicyclo[4.1.0]heptane?
The InChIKey is YWHAYQPFDZZICX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-10(2)11(3,4)15(16)12(5,6)14(8)9-13(10,14)7/h16H,9H2,1-8H3.
What are the key properties of 3-hydroxy-1,2,2,4,4,5,5,6-octamethyl-3-azabicyclo[4.1.0]heptane?
3-hydroxy-1,2,2,4,4,5,5,6-octamethyl-3-azabicyclo[4.1.0]heptane has a molecular weight of 225.38 g/mol, XLogP of 3.69, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1,2,2,4,4,5,5,6-octamethyl-3-azabicyclo[4.1.0]heptane is sourced from PubChem (CID 22947962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).