2,2-dimethyl-6-[[methyl(oxan-4-yl)amino]methyl]cyclohexan-1-one

C15H27NO2 — CID 79852982

IUPAC2,2-dimethyl-6-[[methyl(oxan-4-yl)amino]methyl]cyclohexan-1-one
SMILESCN(CC1CCCC(C)(C)C1=O)C1CCOCC1
InChIInChI=1S/C15H27NO2/c1-15(2)8-4-5-12(14(15)17)11-16(3)13-6-9-18-10-7-13/h12-13H,4-11H2,1-3H3
InChIKeySBCBRWWDCWYYSY-UHFFFAOYSA-N
MW253.39 g/mol
LogP2.49
Rot. Bonds3

About 2,2-dimethyl-6-[[methyl(oxan-4-yl)amino]methyl]cyclohexan-1-one

2,2-dimethyl-6-[[methyl(oxan-4-yl)amino]methyl]cyclohexan-1-one (PubChem CID 79852982) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is 2,2-dimethyl-6-[[methyl(oxan-4-yl)amino]methyl]cyclohexan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-6-[[methyl(oxan-4-yl)amino]methyl]cyclohexan-1-one
PubChem CID79852982
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Name2,2-dimethyl-6-[[methyl(oxan-4-yl)amino]methyl]cyclohexan-1-one
SMILESCN(CC1CCCC(C)(C)C1=O)C1CCOCC1
InChIInChI=1S/C15H27NO2/c1-15(2)8-4-5-12(14(15)17)11-16(3)13-6-9-18-10-7-13/h12-13H,4-11H2,1-3H3
InChIKeySBCBRWWDCWYYSY-UHFFFAOYSA-N
XLogP2.49
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-6-[[methyl(propyl)amino]methyl]cyclohexan-1-one
CID 79852451
6-[[cyclopropyl(cyclopropylmethyl)amino]methyl]-2,2-dimethylcyclohexan-1-one
CID 79852374
2,2-dimethyl-6-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]cyclohexan-1-one
CID 79852369
2,2-dimethyl-6-[[methyl(2-methylsulfanylethyl)amino]methyl]cyclohexan-1-one
CID 112664506
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-5-[[methyl(oxan-4-yl)amino]methyl]cyclopentan-1-ol
CID 79855271
6-[[3-methoxypropyl(methyl)amino]methyl]-2,2-dimethylcyclohexan-1-one
CID 79853251
4-methyl-2-[[methyl(oxan-4-yl)amino]methyl]cyclohexan-1-one
CID 62612208
6-[[2-hydroxyethyl(propyl)amino]methyl]-2,2-dimethylcyclohexan-1-one
CID 79853156
N-[[2-(ethylamino)-3,3-dimethylcyclohexyl]methyl]-N-methyloxan-4-amine
CID 79853528
6-[[2-ethoxyethyl(ethyl)amino]methyl]-2,2-dimethylcyclohexan-1-one
CID 79852372

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-6-[[methyl(oxan-4-yl)amino]methyl]cyclohexan-1-one?
The IUPAC name of 2,2-dimethyl-6-[[methyl(oxan-4-yl)amino]methyl]cyclohexan-1-one (CID 79852982) is 2,2-dimethyl-6-[[methyl(oxan-4-yl)amino]methyl]cyclohexan-1-one.
What is the SMILES notation for 2,2-dimethyl-6-[[methyl(oxan-4-yl)amino]methyl]cyclohexan-1-one?
The canonical SMILES for 2,2-dimethyl-6-[[methyl(oxan-4-yl)amino]methyl]cyclohexan-1-one is CN(CC1CCCC(C)(C)C1=O)C1CCOCC1.
What is the InChIKey of 2,2-dimethyl-6-[[methyl(oxan-4-yl)amino]methyl]cyclohexan-1-one?
The InChIKey is SBCBRWWDCWYYSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2/c1-15(2)8-4-5-12(14(15)17)11-16(3)13-6-9-18-10-7-13/h12-13H,4-11H2,1-3H3.
What are the key properties of 2,2-dimethyl-6-[[methyl(oxan-4-yl)amino]methyl]cyclohexan-1-one?
2,2-dimethyl-6-[[methyl(oxan-4-yl)amino]methyl]cyclohexan-1-one has a molecular weight of 253.39 g/mol, XLogP of 2.49, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-6-[[methyl(oxan-4-yl)amino]methyl]cyclohexan-1-one is sourced from PubChem (CID 79852982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).