2-[[(2-hydroxycyclohexyl)-methylamino]methyl]cyclopentan-1-one

C13H23NO2 — CID 102636930

IUPAC2-[[(2-hydroxycyclohexyl)-methylamino]methyl]cyclopentan-1-one
SMILESCN(CC1CCCC1=O)C1CCCCC1O
InChIInChI=1S/C13H23NO2/c1-14(9-10-5-4-8-12(10)15)11-6-2-3-7-13(11)16/h10-11,13,16H,2-9H2,1H3
InChIKeyXIWFQDRVWAGLNH-UHFFFAOYSA-N
MW225.33 g/mol
LogP1.59
Rot. Bonds3

About 2-[[(2-hydroxycyclohexyl)-methylamino]methyl]cyclopentan-1-one

2-[[(2-hydroxycyclohexyl)-methylamino]methyl]cyclopentan-1-one (PubChem CID 102636930) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 2-[[(2-hydroxycyclohexyl)-methylamino]methyl]cyclopentan-1-one.

Molecular Properties

Compound Name2-[[(2-hydroxycyclohexyl)-methylamino]methyl]cyclopentan-1-one
PubChem CID102636930
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name2-[[(2-hydroxycyclohexyl)-methylamino]methyl]cyclopentan-1-one
SMILESCN(CC1CCCC1=O)C1CCCCC1O
InChIInChI=1S/C13H23NO2/c1-14(9-10-5-4-8-12(10)15)11-6-2-3-7-13(11)16/h10-11,13,16H,2-9H2,1H3
InChIKeyXIWFQDRVWAGLNH-UHFFFAOYSA-N
XLogP1.59
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 ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-hydroxy-N-methylanilino)methyl]cycloheptan-1-one
CID 62613008
2-[cyclopropylmethyl(methyl)amino]cyclopentan-1-ol
CID 60985143
trans-(1S,2S)-2-[methyl-[(2-methylcyclopropyl)methyl]amino]cyclohexan-1-ol
CID 102732161
2-[[2-(dimethylamino)ethyl-methylamino]methyl]cyclohexan-1-one
CID 63701207
2-[[(4-bromophenyl)methyl-methylamino]methyl]cycloheptan-1-one
CID 55094311
2-[[cyclohexyl(ethyl)amino]methyl]cyclopentan-1-one
CID 62612009
ethane;2-(hydroxymethyl)cyclopentan-1-one
CID 144825908
2-[methyl-[(1-methylsulfonylpiperidin-3-yl)methyl]amino]cyclohexan-1-ol
CID 102636407
2-[[1-cyclopropylethyl(methyl)amino]methyl]cyclohexan-1-one
CID 62616157
2-[6-hydroxyhexyl(methyl)amino]cyclohexan-1-ol
CID 107704896
2-[[(2-chlorophenyl)methyl-methylamino]methyl]cyclohexan-1-one
CID 62614573
2-[[methyl(pyridin-2-ylmethyl)amino]methyl]cyclopentan-1-one
CID 62612535

Frequently Asked Questions

What is the IUPAC name of 2-[[(2-hydroxycyclohexyl)-methylamino]methyl]cyclopentan-1-one?
The IUPAC name of 2-[[(2-hydroxycyclohexyl)-methylamino]methyl]cyclopentan-1-one (CID 102636930) is 2-[[(2-hydroxycyclohexyl)-methylamino]methyl]cyclopentan-1-one.
What is the SMILES notation for 2-[[(2-hydroxycyclohexyl)-methylamino]methyl]cyclopentan-1-one?
The canonical SMILES for 2-[[(2-hydroxycyclohexyl)-methylamino]methyl]cyclopentan-1-one is CN(CC1CCCC1=O)C1CCCCC1O.
What is the InChIKey of 2-[[(2-hydroxycyclohexyl)-methylamino]methyl]cyclopentan-1-one?
The InChIKey is XIWFQDRVWAGLNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-14(9-10-5-4-8-12(10)15)11-6-2-3-7-13(11)16/h10-11,13,16H,2-9H2,1H3.
What are the key properties of 2-[[(2-hydroxycyclohexyl)-methylamino]methyl]cyclopentan-1-one?
2-[[(2-hydroxycyclohexyl)-methylamino]methyl]cyclopentan-1-one has a molecular weight of 225.33 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2-hydroxycyclohexyl)-methylamino]methyl]cyclopentan-1-one is sourced from PubChem (CID 102636930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).