2-[2-hydroxyethyl(propan-2-yl)amino]cyclohexan-1-one

C11H21NO2 — CID 62030334

IUPAC2-[2-hydroxyethyl(propan-2-yl)amino]cyclohexan-1-one
SMILESCC(C)N(CCO)C1CCCCC1=O
InChIInChI=1S/C11H21NO2/c1-9(2)12(7-8-13)10-5-3-4-6-11(10)14/h9-10,13H,3-8H2,1-2H3
InChIKeyPUWVXIFRXPONMV-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.20
Rot. Bonds4

About 2-[2-hydroxyethyl(propan-2-yl)amino]cyclohexan-1-one

2-[2-hydroxyethyl(propan-2-yl)amino]cyclohexan-1-one (PubChem CID 62030334) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 2-[2-hydroxyethyl(propan-2-yl)amino]cyclohexan-1-one.

Molecular Properties

Compound Name2-[2-hydroxyethyl(propan-2-yl)amino]cyclohexan-1-one
PubChem CID62030334
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name2-[2-hydroxyethyl(propan-2-yl)amino]cyclohexan-1-one
SMILESCC(C)N(CCO)C1CCCCC1=O
InChIInChI=1S/C11H21NO2/c1-9(2)12(7-8-13)10-5-3-4-6-11(10)14/h9-10,13H,3-8H2,1-2H3
InChIKeyPUWVXIFRXPONMV-UHFFFAOYSA-N
XLogP1.20
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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 2-[2-hydroxyethyl(propan-2-yl)amino]cyclohexan-1-one?
The IUPAC name of 2-[2-hydroxyethyl(propan-2-yl)amino]cyclohexan-1-one (CID 62030334) is 2-[2-hydroxyethyl(propan-2-yl)amino]cyclohexan-1-one.
What is the SMILES notation for 2-[2-hydroxyethyl(propan-2-yl)amino]cyclohexan-1-one?
The canonical SMILES for 2-[2-hydroxyethyl(propan-2-yl)amino]cyclohexan-1-one is CC(C)N(CCO)C1CCCCC1=O.
What is the InChIKey of 2-[2-hydroxyethyl(propan-2-yl)amino]cyclohexan-1-one?
The InChIKey is PUWVXIFRXPONMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-9(2)12(7-8-13)10-5-3-4-6-11(10)14/h9-10,13H,3-8H2,1-2H3.
What are the key properties of 2-[2-hydroxyethyl(propan-2-yl)amino]cyclohexan-1-one?
2-[2-hydroxyethyl(propan-2-yl)amino]cyclohexan-1-one has a molecular weight of 199.29 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxyethyl(propan-2-yl)amino]cyclohexan-1-one is sourced from PubChem (CID 62030334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).