2-[(3-hydroxy-3-methylbutan-2-yl)amino]cyclohexan-1-ol

C11H23NO2 — CID 65337848

IUPAC2-[(3-hydroxy-3-methylbutan-2-yl)amino]cyclohexan-1-ol
SMILESCC(NC1CCCCC1O)C(C)(C)O
InChIInChI=1S/C11H23NO2/c1-8(11(2,3)14)12-9-6-4-5-7-10(9)13/h8-10,12-14H,4-7H2,1-3H3
InChIKeyXGLGDWLWGUOHEZ-UHFFFAOYSA-N
MW201.31 g/mol
LogP1.04
Rot. Bonds3

About 2-[(3-hydroxy-3-methylbutan-2-yl)amino]cyclohexan-1-ol

2-[(3-hydroxy-3-methylbutan-2-yl)amino]cyclohexan-1-ol (PubChem CID 65337848) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is 2-[(3-hydroxy-3-methylbutan-2-yl)amino]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[(3-hydroxy-3-methylbutan-2-yl)amino]cyclohexan-1-ol
PubChem CID65337848
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name2-[(3-hydroxy-3-methylbutan-2-yl)amino]cyclohexan-1-ol
SMILESCC(NC1CCCCC1O)C(C)(C)O
InChIInChI=1S/C11H23NO2/c1-8(11(2,3)14)12-9-6-4-5-7-10(9)13/h8-10,12-14H,4-7H2,1-3H3
InChIKeyXGLGDWLWGUOHEZ-UHFFFAOYSA-N
XLogP1.04
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-hydroxy-3-methylbutan-2-yl)amino]cyclohexan-1-ol?
The IUPAC name of 2-[(3-hydroxy-3-methylbutan-2-yl)amino]cyclohexan-1-ol (CID 65337848) is 2-[(3-hydroxy-3-methylbutan-2-yl)amino]cyclohexan-1-ol.
What is the SMILES notation for 2-[(3-hydroxy-3-methylbutan-2-yl)amino]cyclohexan-1-ol?
The canonical SMILES for 2-[(3-hydroxy-3-methylbutan-2-yl)amino]cyclohexan-1-ol is CC(NC1CCCCC1O)C(C)(C)O.
What is the InChIKey of 2-[(3-hydroxy-3-methylbutan-2-yl)amino]cyclohexan-1-ol?
The InChIKey is XGLGDWLWGUOHEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-8(11(2,3)14)12-9-6-4-5-7-10(9)13/h8-10,12-14H,4-7H2,1-3H3.
What are the key properties of 2-[(3-hydroxy-3-methylbutan-2-yl)amino]cyclohexan-1-ol?
2-[(3-hydroxy-3-methylbutan-2-yl)amino]cyclohexan-1-ol has a molecular weight of 201.31 g/mol, XLogP of 1.04, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-hydroxy-3-methylbutan-2-yl)amino]cyclohexan-1-ol is sourced from PubChem (CID 65337848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).