2-[(1-hydroxycyclopentyl)methyl-methylamino]cyclohexan-1-one

C13H23NO2 — CID 114950414

IUPAC2-[(1-hydroxycyclopentyl)methyl-methylamino]cyclohexan-1-one
SMILESCN(CC1(O)CCCC1)C1CCCCC1=O
InChIInChI=1S/C13H23NO2/c1-14(10-13(16)8-4-5-9-13)11-6-2-3-7-12(11)15/h11,16H,2-10H2,1H3
InChIKeyRWYKHBKJQUSEJC-UHFFFAOYSA-N
MW225.33 g/mol
LogP1.74
Rot. Bonds3

About 2-[(1-hydroxycyclopentyl)methyl-methylamino]cyclohexan-1-one

2-[(1-hydroxycyclopentyl)methyl-methylamino]cyclohexan-1-one (PubChem CID 114950414) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 2-[(1-hydroxycyclopentyl)methyl-methylamino]cyclohexan-1-one.

Molecular Properties

Compound Name2-[(1-hydroxycyclopentyl)methyl-methylamino]cyclohexan-1-one
PubChem CID114950414
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name2-[(1-hydroxycyclopentyl)methyl-methylamino]cyclohexan-1-one
SMILESCN(CC1(O)CCCC1)C1CCCCC1=O
InChIInChI=1S/C13H23NO2/c1-14(10-13(16)8-4-5-9-13)11-6-2-3-7-12(11)15/h11,16H,2-10H2,1H3
InChIKeyRWYKHBKJQUSEJC-UHFFFAOYSA-N
XLogP1.74
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-hydroxycyclopentyl)methyl-methylamino]cyclohexan-1-one?
The IUPAC name of 2-[(1-hydroxycyclopentyl)methyl-methylamino]cyclohexan-1-one (CID 114950414) is 2-[(1-hydroxycyclopentyl)methyl-methylamino]cyclohexan-1-one.
What is the SMILES notation for 2-[(1-hydroxycyclopentyl)methyl-methylamino]cyclohexan-1-one?
The canonical SMILES for 2-[(1-hydroxycyclopentyl)methyl-methylamino]cyclohexan-1-one is CN(CC1(O)CCCC1)C1CCCCC1=O.
What is the InChIKey of 2-[(1-hydroxycyclopentyl)methyl-methylamino]cyclohexan-1-one?
The InChIKey is RWYKHBKJQUSEJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-14(10-13(16)8-4-5-9-13)11-6-2-3-7-12(11)15/h11,16H,2-10H2,1H3.
What are the key properties of 2-[(1-hydroxycyclopentyl)methyl-methylamino]cyclohexan-1-one?
2-[(1-hydroxycyclopentyl)methyl-methylamino]cyclohexan-1-one has a molecular weight of 225.33 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-hydroxycyclopentyl)methyl-methylamino]cyclohexan-1-one is sourced from PubChem (CID 114950414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).