4-tert-butyl-2-[[ethyl(methyl)amino]methyl]cyclohexan-1-one

C14H27NO — CID 62612694

IUPAC4-tert-butyl-2-[[ethyl(methyl)amino]methyl]cyclohexan-1-one
SMILESCCN(C)CC1CC(C(C)(C)C)CCC1=O
InChIInChI=1S/C14H27NO/c1-6-15(5)10-11-9-12(14(2,3)4)7-8-13(11)16/h11-12H,6-10H2,1-5H3
InChIKeyPCUMQSBKAVOKQF-UHFFFAOYSA-N
MW225.38 g/mol
LogP2.97
Rot. Bonds3

About 4-tert-butyl-2-[[ethyl(methyl)amino]methyl]cyclohexan-1-one

4-tert-butyl-2-[[ethyl(methyl)amino]methyl]cyclohexan-1-one (PubChem CID 62612694) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 4-tert-butyl-2-[[ethyl(methyl)amino]methyl]cyclohexan-1-one.

Molecular Properties

Compound Name4-tert-butyl-2-[[ethyl(methyl)amino]methyl]cyclohexan-1-one
PubChem CID62612694
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name4-tert-butyl-2-[[ethyl(methyl)amino]methyl]cyclohexan-1-one
SMILESCCN(C)CC1CC(C(C)(C)C)CCC1=O
InChIInChI=1S/C14H27NO/c1-6-15(5)10-11-9-12(14(2,3)4)7-8-13(11)16/h11-12H,6-10H2,1-5H3
InChIKeyPCUMQSBKAVOKQF-UHFFFAOYSA-N
XLogP2.97
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

cis-(2R,4S)-4-tert-butyl-2-[(dimethylamino)methyl]cyclohexan-1-one
CID 1249355
4-tert-butyl-2-[[(2-hydroxy-2-methylpropyl)-methylamino]methyl]cyclohexan-1-one
CID 79379920
4-tert-butyl-2-[[cyclopentyl(ethyl)amino]methyl]cyclohexan-1-one
CID 62613194
4-tert-butyl-2-[[methyl(3-methylbutan-2-yl)amino]methyl]cyclohexan-1-one
CID 62612205
4-tert-butyl-2-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]cyclohexan-1-one
CID 112664604
4-tert-butyl-2-[[ethyl(1-methoxypropan-2-yl)amino]methyl]cyclohexan-1-one
CID 62612713
cis-(2S,4R)-4-tert-butyl-2-(hydroxymethyl)cyclohexan-1-one
CID 98617812
4-tert-butyl-2-[(4-methyl-1,4-diazepan-1-yl)methyl]cyclohexan-1-one
CID 62612022
4-tert-butyl-2-(cyclopentylmethyl)cyclohexan-1-one
CID 63399146
4-tert-butyl-2-(2-methylidenebutyl)cyclohexan-1-one
CID 66047404
4-tert-butyl-2-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-one
CID 107486452
4-tert-butyl-2-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]cyclohexan-1-one
CID 63165754

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-[[ethyl(methyl)amino]methyl]cyclohexan-1-one?
The IUPAC name of 4-tert-butyl-2-[[ethyl(methyl)amino]methyl]cyclohexan-1-one (CID 62612694) is 4-tert-butyl-2-[[ethyl(methyl)amino]methyl]cyclohexan-1-one.
What is the SMILES notation for 4-tert-butyl-2-[[ethyl(methyl)amino]methyl]cyclohexan-1-one?
The canonical SMILES for 4-tert-butyl-2-[[ethyl(methyl)amino]methyl]cyclohexan-1-one is CCN(C)CC1CC(C(C)(C)C)CCC1=O.
What is the InChIKey of 4-tert-butyl-2-[[ethyl(methyl)amino]methyl]cyclohexan-1-one?
The InChIKey is PCUMQSBKAVOKQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-6-15(5)10-11-9-12(14(2,3)4)7-8-13(11)16/h11-12H,6-10H2,1-5H3.
What are the key properties of 4-tert-butyl-2-[[ethyl(methyl)amino]methyl]cyclohexan-1-one?
4-tert-butyl-2-[[ethyl(methyl)amino]methyl]cyclohexan-1-one has a molecular weight of 225.38 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-[[ethyl(methyl)amino]methyl]cyclohexan-1-one is sourced from PubChem (CID 62612694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).