4-[(2-hydroxy-2-methylpropyl)-methylamino]cyclohexan-1-one

C11H21NO2 — CID 79120099

IUPAC4-[(2-hydroxy-2-methylpropyl)-methylamino]cyclohexan-1-one
SMILESCN(CC(C)(C)O)C1CCC(=O)CC1
InChIInChI=1S/C11H21NO2/c1-11(2,14)8-12(3)9-4-6-10(13)7-5-9/h9,14H,4-8H2,1-3H3
InChIKeyBPHNZENISAXFAM-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.20
Rot. Bonds3

About 4-[(2-hydroxy-2-methylpropyl)-methylamino]cyclohexan-1-one

4-[(2-hydroxy-2-methylpropyl)-methylamino]cyclohexan-1-one (PubChem CID 79120099) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 4-[(2-hydroxy-2-methylpropyl)-methylamino]cyclohexan-1-one.

Molecular Properties

Compound Name4-[(2-hydroxy-2-methylpropyl)-methylamino]cyclohexan-1-one
PubChem CID79120099
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name4-[(2-hydroxy-2-methylpropyl)-methylamino]cyclohexan-1-one
SMILESCN(CC(C)(C)O)C1CCC(=O)CC1
InChIInChI=1S/C11H21NO2/c1-11(2,14)8-12(3)9-4-6-10(13)7-5-9/h9,14H,4-8H2,1-3H3
InChIKeyBPHNZENISAXFAM-UHFFFAOYSA-N
XLogP1.20
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-hydroxy-2-methylpropyl)-methylamino]cyclohexan-1-one?
The IUPAC name of 4-[(2-hydroxy-2-methylpropyl)-methylamino]cyclohexan-1-one (CID 79120099) is 4-[(2-hydroxy-2-methylpropyl)-methylamino]cyclohexan-1-one.
What is the SMILES notation for 4-[(2-hydroxy-2-methylpropyl)-methylamino]cyclohexan-1-one?
The canonical SMILES for 4-[(2-hydroxy-2-methylpropyl)-methylamino]cyclohexan-1-one is CN(CC(C)(C)O)C1CCC(=O)CC1.
What is the InChIKey of 4-[(2-hydroxy-2-methylpropyl)-methylamino]cyclohexan-1-one?
The InChIKey is BPHNZENISAXFAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-11(2,14)8-12(3)9-4-6-10(13)7-5-9/h9,14H,4-8H2,1-3H3.
What are the key properties of 4-[(2-hydroxy-2-methylpropyl)-methylamino]cyclohexan-1-one?
4-[(2-hydroxy-2-methylpropyl)-methylamino]cyclohexan-1-one has a molecular weight of 199.29 g/mol, XLogP of 1.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-hydroxy-2-methylpropyl)-methylamino]cyclohexan-1-one is sourced from PubChem (CID 79120099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).