2,2-dimethyl-6-[[methyl(propyl)amino]methyl]cyclohexan-1-one

C13H25NO — CID 79852451

IUPAC2,2-dimethyl-6-[[methyl(propyl)amino]methyl]cyclohexan-1-one
SMILESCCCN(C)CC1CCCC(C)(C)C1=O
InChIInChI=1S/C13H25NO/c1-5-9-14(4)10-11-7-6-8-13(2,3)12(11)15/h11H,5-10H2,1-4H3
InChIKeyPMHVPDAHUNBWEH-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.72
Rot. Bonds4

About 2,2-dimethyl-6-[[methyl(propyl)amino]methyl]cyclohexan-1-one

2,2-dimethyl-6-[[methyl(propyl)amino]methyl]cyclohexan-1-one (PubChem CID 79852451) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 2,2-dimethyl-6-[[methyl(propyl)amino]methyl]cyclohexan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-6-[[methyl(propyl)amino]methyl]cyclohexan-1-one
PubChem CID79852451
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name2,2-dimethyl-6-[[methyl(propyl)amino]methyl]cyclohexan-1-one
SMILESCCCN(C)CC1CCCC(C)(C)C1=O
InChIInChI=1S/C13H25NO/c1-5-9-14(4)10-11-7-6-8-13(2,3)12(11)15/h11H,5-10H2,1-4H3
InChIKeyPMHVPDAHUNBWEH-UHFFFAOYSA-N
XLogP2.72
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-dimethyl-6-[[methyl(2-methylsulfanylethyl)amino]methyl]cyclohexan-1-one
CID 112664506
6-[(dimethylamino)methyl]-2,2-dimethylcyclohexan-1-one
CID 69350867
6-[[3-methoxypropyl(methyl)amino]methyl]-2,2-dimethylcyclohexan-1-one
CID 79853251
6-[[2-hydroxyethyl(propyl)amino]methyl]-2,2-dimethylcyclohexan-1-one
CID 79853156
6-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]-2,2-dimethylcyclohexan-1-one
CID 79852288
5-[[2-hydroxyethyl(methyl)amino]methyl]-2,2-dimethylcyclopentan-1-one
CID 79866535
6-[[1-hydroxypropan-2-yl(methyl)amino]methyl]-2,2-dimethylcyclohexan-1-one
CID 104554486
2,2-dimethyl-6-[[methyl(4-methylpentan-2-yl)amino]methyl]cyclohexan-1-one
CID 79852813
5-[[ethyl(propyl)amino]methyl]-2,2-dimethylcyclopentan-1-one
CID 79866669
6-[[(2-fluorophenyl)methyl-methylamino]methyl]-2,2-dimethylcyclohexan-1-one
CID 79852724
2,2-dimethyl-6-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]cyclohexan-1-one
CID 79852369
2,2-dimethyl-6-[[methyl(oxan-4-yl)amino]methyl]cyclohexan-1-one
CID 79852982

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-6-[[methyl(propyl)amino]methyl]cyclohexan-1-one?
The IUPAC name of 2,2-dimethyl-6-[[methyl(propyl)amino]methyl]cyclohexan-1-one (CID 79852451) is 2,2-dimethyl-6-[[methyl(propyl)amino]methyl]cyclohexan-1-one.
What is the SMILES notation for 2,2-dimethyl-6-[[methyl(propyl)amino]methyl]cyclohexan-1-one?
The canonical SMILES for 2,2-dimethyl-6-[[methyl(propyl)amino]methyl]cyclohexan-1-one is CCCN(C)CC1CCCC(C)(C)C1=O.
What is the InChIKey of 2,2-dimethyl-6-[[methyl(propyl)amino]methyl]cyclohexan-1-one?
The InChIKey is PMHVPDAHUNBWEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-5-9-14(4)10-11-7-6-8-13(2,3)12(11)15/h11H,5-10H2,1-4H3.
What are the key properties of 2,2-dimethyl-6-[[methyl(propyl)amino]methyl]cyclohexan-1-one?
2,2-dimethyl-6-[[methyl(propyl)amino]methyl]cyclohexan-1-one has a molecular weight of 211.35 g/mol, XLogP of 2.72, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-6-[[methyl(propyl)amino]methyl]cyclohexan-1-one is sourced from PubChem (CID 79852451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).