3-[cyclopropyl(2-hydroxyethyl)amino]cyclohexan-1-one

C11H19NO2 — CID 79617866

IUPAC3-[cyclopropyl(2-hydroxyethyl)amino]cyclohexan-1-one
SMILESO=C1CCCC(N(CCO)C2CC2)C1
InChIInChI=1S/C11H19NO2/c13-7-6-12(9-4-5-9)10-2-1-3-11(14)8-10/h9-10,13H,1-8H2
InChIKeyDNNREMFGRXSSIB-UHFFFAOYSA-N
MW197.28 g/mol
LogP0.95
Rot. Bonds4

About 3-[cyclopropyl(2-hydroxyethyl)amino]cyclohexan-1-one

3-[cyclopropyl(2-hydroxyethyl)amino]cyclohexan-1-one (PubChem CID 79617866) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 3-[cyclopropyl(2-hydroxyethyl)amino]cyclohexan-1-one.

Molecular Properties

Compound Name3-[cyclopropyl(2-hydroxyethyl)amino]cyclohexan-1-one
PubChem CID79617866
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name3-[cyclopropyl(2-hydroxyethyl)amino]cyclohexan-1-one
SMILESO=C1CCCC(N(CCO)C2CC2)C1
InChIInChI=1S/C11H19NO2/c13-7-6-12(9-4-5-9)10-2-1-3-11(14)8-10/h9-10,13H,1-8H2
InChIKeyDNNREMFGRXSSIB-UHFFFAOYSA-N
XLogP0.95
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl(2-hydroxyethyl)amino]cyclohexan-1-one?
The IUPAC name of 3-[cyclopropyl(2-hydroxyethyl)amino]cyclohexan-1-one (CID 79617866) is 3-[cyclopropyl(2-hydroxyethyl)amino]cyclohexan-1-one.
What is the SMILES notation for 3-[cyclopropyl(2-hydroxyethyl)amino]cyclohexan-1-one?
The canonical SMILES for 3-[cyclopropyl(2-hydroxyethyl)amino]cyclohexan-1-one is O=C1CCCC(N(CCO)C2CC2)C1.
What is the InChIKey of 3-[cyclopropyl(2-hydroxyethyl)amino]cyclohexan-1-one?
The InChIKey is DNNREMFGRXSSIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c13-7-6-12(9-4-5-9)10-2-1-3-11(14)8-10/h9-10,13H,1-8H2.
What are the key properties of 3-[cyclopropyl(2-hydroxyethyl)amino]cyclohexan-1-one?
3-[cyclopropyl(2-hydroxyethyl)amino]cyclohexan-1-one has a molecular weight of 197.28 g/mol, XLogP of 0.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl(2-hydroxyethyl)amino]cyclohexan-1-one is sourced from PubChem (CID 79617866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).