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

C15H29NO — CID 63964938

IUPAC4-ethyl-2-[[methyl(2-methylbutan-2-yl)amino]methyl]cyclohexan-1-one
SMILESCCC1CCC(=O)C(CN(C)C(C)(C)CC)C1
InChIInChI=1S/C15H29NO/c1-6-12-8-9-14(17)13(10-12)11-16(5)15(3,4)7-2/h12-13H,6-11H2,1-5H3
InChIKeySLGCYYWONQNXNC-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.50
Rot. Bonds5

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

4-ethyl-2-[[methyl(2-methylbutan-2-yl)amino]methyl]cyclohexan-1-one (PubChem CID 63964938) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is 4-ethyl-2-[[methyl(2-methylbutan-2-yl)amino]methyl]cyclohexan-1-one.

Molecular Properties

Compound Name4-ethyl-2-[[methyl(2-methylbutan-2-yl)amino]methyl]cyclohexan-1-one
PubChem CID63964938
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name4-ethyl-2-[[methyl(2-methylbutan-2-yl)amino]methyl]cyclohexan-1-one
SMILESCCC1CCC(=O)C(CN(C)C(C)(C)CC)C1
InChIInChI=1S/C15H29NO/c1-6-12-8-9-14(17)13(10-12)11-16(5)15(3,4)7-2/h12-13H,6-11H2,1-5H3
InChIKeySLGCYYWONQNXNC-UHFFFAOYSA-N
XLogP3.50
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.50
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-[[methyl(2-methylbutyl)amino]methyl]cyclohexan-1-one
CID 62612859
4-ethyl-2-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]cyclohexan-1-one
CID 63236972
2-(cyclopropylmethyl)-4-ethylcyclohexan-1-one
CID 79417674
2-[[cyclopentyl(ethyl)amino]methyl]-4-ethylcyclohexan-1-one
CID 55094874
2-[[butan-2-yl(ethyl)amino]methyl]-4-ethylcyclohexan-1-one
CID 62612029
4-ethyl-2-[[methyl-(3-methylcyclohexyl)amino]methyl]cyclohexan-1-one
CID 55094782
2-[[2-ethoxyethyl(methyl)amino]methyl]-4-ethylcyclohexan-1-one
CID 81074044
4-ethyl-2-[[(2-hydroxy-3-methoxypropyl)-methylamino]methyl]cyclohexan-1-one
CID 55094973
4-ethyl-2-[[ethyl(2-methoxyethyl)amino]methyl]cyclohexan-1-one
CID 62612886
4-ethyl-2-[[methyl-[(2-methylphenyl)methyl]amino]methyl]cyclohexan-1-one
CID 62613388
4-ethyl-2-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]cyclohexan-1-one
CID 79312395

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-[[methyl(2-methylbutan-2-yl)amino]methyl]cyclohexan-1-one?
The IUPAC name of 4-ethyl-2-[[methyl(2-methylbutan-2-yl)amino]methyl]cyclohexan-1-one (CID 63964938) is 4-ethyl-2-[[methyl(2-methylbutan-2-yl)amino]methyl]cyclohexan-1-one.
What is the SMILES notation for 4-ethyl-2-[[methyl(2-methylbutan-2-yl)amino]methyl]cyclohexan-1-one?
The canonical SMILES for 4-ethyl-2-[[methyl(2-methylbutan-2-yl)amino]methyl]cyclohexan-1-one is CCC1CCC(=O)C(CN(C)C(C)(C)CC)C1.
What is the InChIKey of 4-ethyl-2-[[methyl(2-methylbutan-2-yl)amino]methyl]cyclohexan-1-one?
The InChIKey is SLGCYYWONQNXNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-6-12-8-9-14(17)13(10-12)11-16(5)15(3,4)7-2/h12-13H,6-11H2,1-5H3.
What are the key properties of 4-ethyl-2-[[methyl(2-methylbutan-2-yl)amino]methyl]cyclohexan-1-one?
4-ethyl-2-[[methyl(2-methylbutan-2-yl)amino]methyl]cyclohexan-1-one has a molecular weight of 239.40 g/mol, XLogP of 3.50, 5 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-methylbutan-2-yl)amino]methyl]cyclohexan-1-one is sourced from PubChem (CID 63964938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).