6-[[3-methoxypropyl(methyl)amino]methyl]-2,2-dimethylcyclohexan-1-one

C14H27NO2 — CID 79853251

IUPAC6-[[3-methoxypropyl(methyl)amino]methyl]-2,2-dimethylcyclohexan-1-one
SMILESCOCCCN(C)CC1CCCC(C)(C)C1=O
InChIInChI=1S/C14H27NO2/c1-14(2)8-5-7-12(13(14)16)11-15(3)9-6-10-17-4/h12H,5-11H2,1-4H3
InChIKeyVRFVUHWOWANWFT-UHFFFAOYSA-N
MW241.37 g/mol
LogP2.35
Rot. Bonds6

About 6-[[3-methoxypropyl(methyl)amino]methyl]-2,2-dimethylcyclohexan-1-one

6-[[3-methoxypropyl(methyl)amino]methyl]-2,2-dimethylcyclohexan-1-one (PubChem CID 79853251) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is 6-[[3-methoxypropyl(methyl)amino]methyl]-2,2-dimethylcyclohexan-1-one.

Molecular Properties

Compound Name6-[[3-methoxypropyl(methyl)amino]methyl]-2,2-dimethylcyclohexan-1-one
PubChem CID79853251
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name6-[[3-methoxypropyl(methyl)amino]methyl]-2,2-dimethylcyclohexan-1-one
SMILESCOCCCN(C)CC1CCCC(C)(C)C1=O
InChIInChI=1S/C14H27NO2/c1-14(2)8-5-7-12(13(14)16)11-15(3)9-6-10-17-4/h12H,5-11H2,1-4H3
InChIKeyVRFVUHWOWANWFT-UHFFFAOYSA-N
XLogP2.35
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,2-dimethyl-6-[[methyl(propyl)amino]methyl]cyclohexan-1-one
CID 79852451
2,2-dimethyl-6-[[methyl(2-methylsulfanylethyl)amino]methyl]cyclohexan-1-one
CID 112664506
6-[(dimethylamino)methyl]-2,2-dimethylcyclohexan-1-one
CID 69350867
5-[[5-hydroxypentyl(methyl)amino]methyl]-2,2-dimethylcyclopentan-1-one
CID 107204487
5-[[2-hydroxyethyl(methyl)amino]methyl]-2,2-dimethylcyclopentan-1-one
CID 79866535
5-[[ethyl(2-methoxyethyl)amino]methyl]-2,2-dimethylcyclopentan-1-one
CID 79867026
6-[[2-ethoxyethyl(ethyl)amino]methyl]-2,2-dimethylcyclohexan-1-one
CID 79852372
6-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]-2,2-dimethylcyclohexan-1-one
CID 79852288
6-[[(2-fluorophenyl)methyl-methylamino]methyl]-2,2-dimethylcyclohexan-1-one
CID 79852724
6-[(2-methoxy-N-methylanilino)methyl]-2,2-dimethylcyclohexan-1-one
CID 79853246
2,2-dimethyl-6-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]cyclohexan-1-one
CID 79852369
6-[[1-hydroxypropan-2-yl(methyl)amino]methyl]-2,2-dimethylcyclohexan-1-one
CID 104554486

Frequently Asked Questions

What is the IUPAC name of 6-[[3-methoxypropyl(methyl)amino]methyl]-2,2-dimethylcyclohexan-1-one?
The IUPAC name of 6-[[3-methoxypropyl(methyl)amino]methyl]-2,2-dimethylcyclohexan-1-one (CID 79853251) is 6-[[3-methoxypropyl(methyl)amino]methyl]-2,2-dimethylcyclohexan-1-one.
What is the SMILES notation for 6-[[3-methoxypropyl(methyl)amino]methyl]-2,2-dimethylcyclohexan-1-one?
The canonical SMILES for 6-[[3-methoxypropyl(methyl)amino]methyl]-2,2-dimethylcyclohexan-1-one is COCCCN(C)CC1CCCC(C)(C)C1=O.
What is the InChIKey of 6-[[3-methoxypropyl(methyl)amino]methyl]-2,2-dimethylcyclohexan-1-one?
The InChIKey is VRFVUHWOWANWFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-14(2)8-5-7-12(13(14)16)11-15(3)9-6-10-17-4/h12H,5-11H2,1-4H3.
What are the key properties of 6-[[3-methoxypropyl(methyl)amino]methyl]-2,2-dimethylcyclohexan-1-one?
6-[[3-methoxypropyl(methyl)amino]methyl]-2,2-dimethylcyclohexan-1-one has a molecular weight of 241.37 g/mol, XLogP of 2.35, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[3-methoxypropyl(methyl)amino]methyl]-2,2-dimethylcyclohexan-1-one is sourced from PubChem (CID 79853251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).