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

C16H31NO — CID 79852813

IUPAC2,2-dimethyl-6-[[methyl(4-methylpentan-2-yl)amino]methyl]cyclohexan-1-one
SMILESCC(C)CC(C)N(C)CC1CCCC(C)(C)C1=O
InChIInChI=1S/C16H31NO/c1-12(2)10-13(3)17(6)11-14-8-7-9-16(4,5)15(14)18/h12-14H,7-11H2,1-6H3
InChIKeyDFJILAJZMZGPLP-UHFFFAOYSA-N
MW253.43 g/mol
LogP3.75
Rot. Bonds5

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

2,2-dimethyl-6-[[methyl(4-methylpentan-2-yl)amino]methyl]cyclohexan-1-one (PubChem CID 79852813) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is 2,2-dimethyl-6-[[methyl(4-methylpentan-2-yl)amino]methyl]cyclohexan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-6-[[methyl(4-methylpentan-2-yl)amino]methyl]cyclohexan-1-one
PubChem CID79852813
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC Name2,2-dimethyl-6-[[methyl(4-methylpentan-2-yl)amino]methyl]cyclohexan-1-one
SMILESCC(C)CC(C)N(C)CC1CCCC(C)(C)C1=O
InChIInChI=1S/C16H31NO/c1-12(2)10-13(3)17(6)11-14-8-7-9-16(4,5)15(14)18/h12-14H,7-11H2,1-6H3
InChIKeyDFJILAJZMZGPLP-UHFFFAOYSA-N
XLogP3.75
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,2-dimethyl-6-[[methyl(4-methylpentan-2-yl)amino]methyl]cyclohexan-1-one with MolForge

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Related Compounds

6-[[1-hydroxypropan-2-yl(methyl)amino]methyl]-2,2-dimethylcyclohexan-1-one
CID 104554486
6-[(dimethylamino)methyl]-2,2-dimethylcyclohexan-1-one
CID 69350867
2,2-dimethyl-6-[[methyl(propyl)amino]methyl]cyclohexan-1-one
CID 79852451
2,2-dimethyl-6-[[methyl(oxan-4-yl)amino]methyl]cyclohexan-1-one
CID 79852982
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
6-[[2-hydroxyethyl(propyl)amino]methyl]-2,2-dimethylcyclohexan-1-one
CID 79853156
6-[(2-methoxy-N-methylanilino)methyl]-2,2-dimethylcyclohexan-1-one
CID 79853246
5-[[ethyl(propan-2-yl)amino]methyl]-2,2-dimethylcyclopentan-1-one
CID 79867013
6-[[3-methoxypropyl(methyl)amino]methyl]-2,2-dimethylcyclohexan-1-one
CID 79853251
5-[[2-hydroxypropyl(methyl)amino]methyl]-2,2-dimethylcyclopentan-1-one
CID 79866129

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-6-[[methyl(4-methylpentan-2-yl)amino]methyl]cyclohexan-1-one?
The IUPAC name of 2,2-dimethyl-6-[[methyl(4-methylpentan-2-yl)amino]methyl]cyclohexan-1-one (CID 79852813) is 2,2-dimethyl-6-[[methyl(4-methylpentan-2-yl)amino]methyl]cyclohexan-1-one.
What is the SMILES notation for 2,2-dimethyl-6-[[methyl(4-methylpentan-2-yl)amino]methyl]cyclohexan-1-one?
The canonical SMILES for 2,2-dimethyl-6-[[methyl(4-methylpentan-2-yl)amino]methyl]cyclohexan-1-one is CC(C)CC(C)N(C)CC1CCCC(C)(C)C1=O.
What is the InChIKey of 2,2-dimethyl-6-[[methyl(4-methylpentan-2-yl)amino]methyl]cyclohexan-1-one?
The InChIKey is DFJILAJZMZGPLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO/c1-12(2)10-13(3)17(6)11-14-8-7-9-16(4,5)15(14)18/h12-14H,7-11H2,1-6H3.
What are the key properties of 2,2-dimethyl-6-[[methyl(4-methylpentan-2-yl)amino]methyl]cyclohexan-1-one?
2,2-dimethyl-6-[[methyl(4-methylpentan-2-yl)amino]methyl]cyclohexan-1-one has a molecular weight of 253.43 g/mol, XLogP of 3.75, 5 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(4-methylpentan-2-yl)amino]methyl]cyclohexan-1-one is sourced from PubChem (CID 79852813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).