6-[[1-hydroxypropan-2-yl(methyl)amino]methyl]-2,2-dimethylcyclohexan-1-one

C13H25NO2 — CID 104554486

IUPAC6-[[1-hydroxypropan-2-yl(methyl)amino]methyl]-2,2-dimethylcyclohexan-1-one
SMILESCC(CO)N(C)CC1CCCC(C)(C)C1=O
InChIInChI=1S/C13H25NO2/c1-10(9-15)14(4)8-11-6-5-7-13(2,3)12(11)16/h10-11,15H,5-9H2,1-4H3
InChIKeyDRCVPHIKRCGPFQ-UHFFFAOYSA-N
MW227.35 g/mol
LogP1.69
Rot. Bonds4

About 6-[[1-hydroxypropan-2-yl(methyl)amino]methyl]-2,2-dimethylcyclohexan-1-one

6-[[1-hydroxypropan-2-yl(methyl)amino]methyl]-2,2-dimethylcyclohexan-1-one (PubChem CID 104554486) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 6-[[1-hydroxypropan-2-yl(methyl)amino]methyl]-2,2-dimethylcyclohexan-1-one.

Molecular Properties

Compound Name6-[[1-hydroxypropan-2-yl(methyl)amino]methyl]-2,2-dimethylcyclohexan-1-one
PubChem CID104554486
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name6-[[1-hydroxypropan-2-yl(methyl)amino]methyl]-2,2-dimethylcyclohexan-1-one
SMILESCC(CO)N(C)CC1CCCC(C)(C)C1=O
InChIInChI=1S/C13H25NO2/c1-10(9-15)14(4)8-11-6-5-7-13(2,3)12(11)16/h10-11,15H,5-9H2,1-4H3
InChIKeyDRCVPHIKRCGPFQ-UHFFFAOYSA-N
XLogP1.69
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-[[1-hydroxypropan-2-yl(methyl)amino]methyl]-2,2-dimethylcyclohexan-1-one with MolForge

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Related Compounds

2,2-dimethyl-6-[[methyl(4-methylpentan-2-yl)amino]methyl]cyclohexan-1-one
CID 79852813
6-[(dimethylamino)methyl]-2,2-dimethylcyclohexan-1-one
CID 69350867
2,2-dimethyl-6-[[methyl(propyl)amino]methyl]cyclohexan-1-one
CID 79852451
6-[[2-hydroxyethyl(propyl)amino]methyl]-2,2-dimethylcyclohexan-1-one
CID 79853156
2,2-dimethyl-6-[[methyl(oxan-4-yl)amino]methyl]cyclohexan-1-one
CID 79852982
5-[[2-hydroxypropyl(methyl)amino]methyl]-2,2-dimethylcyclopentan-1-one
CID 79866129
2,2-dimethyl-6-[[methyl(2-methylsulfanylethyl)amino]methyl]cyclohexan-1-one
CID 112664506
6-[[2-ethoxyethyl(ethyl)amino]methyl]-2,2-dimethylcyclohexan-1-one
CID 79852372
6-[[cyclopropyl(cyclopropylmethyl)amino]methyl]-2,2-dimethylcyclohexan-1-one
CID 79852374
5-[[2-hydroxyethyl(methyl)amino]methyl]-2,2-dimethylcyclopentan-1-one
CID 79866535
2-[(5,5-dimethyloxolan-2-yl)methyl-methylamino]propan-1-ol
CID 116523454
5-[[ethyl(propan-2-yl)amino]methyl]-2,2-dimethylcyclopentan-1-one
CID 79867013

Frequently Asked Questions

What is the IUPAC name of 6-[[1-hydroxypropan-2-yl(methyl)amino]methyl]-2,2-dimethylcyclohexan-1-one?
The IUPAC name of 6-[[1-hydroxypropan-2-yl(methyl)amino]methyl]-2,2-dimethylcyclohexan-1-one (CID 104554486) is 6-[[1-hydroxypropan-2-yl(methyl)amino]methyl]-2,2-dimethylcyclohexan-1-one.
What is the SMILES notation for 6-[[1-hydroxypropan-2-yl(methyl)amino]methyl]-2,2-dimethylcyclohexan-1-one?
The canonical SMILES for 6-[[1-hydroxypropan-2-yl(methyl)amino]methyl]-2,2-dimethylcyclohexan-1-one is CC(CO)N(C)CC1CCCC(C)(C)C1=O.
What is the InChIKey of 6-[[1-hydroxypropan-2-yl(methyl)amino]methyl]-2,2-dimethylcyclohexan-1-one?
The InChIKey is DRCVPHIKRCGPFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-10(9-15)14(4)8-11-6-5-7-13(2,3)12(11)16/h10-11,15H,5-9H2,1-4H3.
What are the key properties of 6-[[1-hydroxypropan-2-yl(methyl)amino]methyl]-2,2-dimethylcyclohexan-1-one?
6-[[1-hydroxypropan-2-yl(methyl)amino]methyl]-2,2-dimethylcyclohexan-1-one has a molecular weight of 227.35 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[1-hydroxypropan-2-yl(methyl)amino]methyl]-2,2-dimethylcyclohexan-1-one is sourced from PubChem (CID 104554486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).