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

C15H29NO — CID 62612859

IUPAC4-ethyl-2-[[methyl(2-methylbutyl)amino]methyl]cyclohexan-1-one
SMILESCCC(C)CN(C)CC1CC(CC)CCC1=O
InChIInChI=1S/C15H29NO/c1-5-12(3)10-16(4)11-14-9-13(6-2)7-8-15(14)17/h12-14H,5-11H2,1-4H3
InChIKeyLJSSUDCOIKUGQP-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.36
Rot. Bonds6

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

4-ethyl-2-[[methyl(2-methylbutyl)amino]methyl]cyclohexan-1-one (PubChem CID 62612859) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is 4-ethyl-2-[[methyl(2-methylbutyl)amino]methyl]cyclohexan-1-one.

Molecular Properties

Compound Name4-ethyl-2-[[methyl(2-methylbutyl)amino]methyl]cyclohexan-1-one
PubChem CID62612859
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name4-ethyl-2-[[methyl(2-methylbutyl)amino]methyl]cyclohexan-1-one
SMILESCCC(C)CN(C)CC1CC(CC)CCC1=O
InChIInChI=1S/C15H29NO/c1-5-12(3)10-16(4)11-14-9-13(6-2)7-8-15(14)17/h12-14H,5-11H2,1-4H3
InChIKeyLJSSUDCOIKUGQP-UHFFFAOYSA-N
XLogP3.36
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-ethyl-2-[[methyl(3-methylbutan-2-yl)amino]methyl]cyclohexan-1-one
CID 62612035
4-ethyl-2-[[(2-hydroxy-3-methoxypropyl)-methylamino]methyl]cyclohexan-1-one
CID 55094973
4-ethyl-2-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]cyclohexan-1-one
CID 63236972
2-[[butan-2-yl(ethyl)amino]methyl]-4-ethylcyclohexan-1-one
CID 62612029
2-[[methyl(2-methylbutyl)amino]methyl]cycloheptan-1-one
CID 62613019
4-ethyl-2-[[methyl(2-methylbutan-2-yl)amino]methyl]cyclohexan-1-one
CID 63964938
2-[[2-ethoxyethyl(methyl)amino]methyl]-4-ethylcyclohexan-1-one
CID 81074044
4-ethyl-2-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]cyclohexan-1-one
CID 79312395
4-ethyl-2-[[pentyl(propan-2-yl)amino]methyl]cyclohexan-1-one
CID 63484095
4-ethyl-2-[[methyl-[(2-methylphenyl)methyl]amino]methyl]cyclohexan-1-one
CID 62613388
4-ethyl-2-[[methyl(thiophen-2-ylmethyl)amino]methyl]cyclohexan-1-one
CID 62612203
2-(cyclopropylmethyl)-4-ethylcyclohexan-1-one
CID 79417674

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-[[methyl(2-methylbutyl)amino]methyl]cyclohexan-1-one?
The IUPAC name of 4-ethyl-2-[[methyl(2-methylbutyl)amino]methyl]cyclohexan-1-one (CID 62612859) is 4-ethyl-2-[[methyl(2-methylbutyl)amino]methyl]cyclohexan-1-one.
What is the SMILES notation for 4-ethyl-2-[[methyl(2-methylbutyl)amino]methyl]cyclohexan-1-one?
The canonical SMILES for 4-ethyl-2-[[methyl(2-methylbutyl)amino]methyl]cyclohexan-1-one is CCC(C)CN(C)CC1CC(CC)CCC1=O.
What is the InChIKey of 4-ethyl-2-[[methyl(2-methylbutyl)amino]methyl]cyclohexan-1-one?
The InChIKey is LJSSUDCOIKUGQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-5-12(3)10-16(4)11-14-9-13(6-2)7-8-15(14)17/h12-14H,5-11H2,1-4H3.
What are the key properties of 4-ethyl-2-[[methyl(2-methylbutyl)amino]methyl]cyclohexan-1-one?
4-ethyl-2-[[methyl(2-methylbutyl)amino]methyl]cyclohexan-1-one has a molecular weight of 239.40 g/mol, XLogP of 3.36, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-[[methyl(2-methylbutyl)amino]methyl]cyclohexan-1-one is sourced from PubChem (CID 62612859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).