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

C13H25NO — CID 68697231

IUPAC4-butyl-4-[ethyl(methyl)amino]cyclohexan-1-one
SMILESCCCCC1(N(C)CC)CCC(=O)CC1
InChIInChI=1S/C13H25NO/c1-4-6-9-13(14(3)5-2)10-7-12(15)8-11-13/h4-11H2,1-3H3
InChIKeyPOEBKJRNUXHFOA-UHFFFAOYSA-N
MW211.35 g/mol
LogP3.01
Rot. Bonds5

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

4-butyl-4-[ethyl(methyl)amino]cyclohexan-1-one (PubChem CID 68697231) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 4-butyl-4-[ethyl(methyl)amino]cyclohexan-1-one.

Molecular Properties

Compound Name4-butyl-4-[ethyl(methyl)amino]cyclohexan-1-one
PubChem CID68697231
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name4-butyl-4-[ethyl(methyl)amino]cyclohexan-1-one
SMILESCCCCC1(N(C)CC)CCC(=O)CC1
InChIInChI=1S/C13H25NO/c1-4-6-9-13(14(3)5-2)10-7-12(15)8-11-13/h4-11H2,1-3H3
InChIKeyPOEBKJRNUXHFOA-UHFFFAOYSA-N
XLogP3.01
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-butyl-4-[ethyl(methyl)amino]cyclohexan-1-one?
The IUPAC name of 4-butyl-4-[ethyl(methyl)amino]cyclohexan-1-one (CID 68697231) is 4-butyl-4-[ethyl(methyl)amino]cyclohexan-1-one.
What is the SMILES notation for 4-butyl-4-[ethyl(methyl)amino]cyclohexan-1-one?
The canonical SMILES for 4-butyl-4-[ethyl(methyl)amino]cyclohexan-1-one is CCCCC1(N(C)CC)CCC(=O)CC1.
What is the InChIKey of 4-butyl-4-[ethyl(methyl)amino]cyclohexan-1-one?
The InChIKey is POEBKJRNUXHFOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-4-6-9-13(14(3)5-2)10-7-12(15)8-11-13/h4-11H2,1-3H3.
What are the key properties of 4-butyl-4-[ethyl(methyl)amino]cyclohexan-1-one?
4-butyl-4-[ethyl(methyl)amino]cyclohexan-1-one has a molecular weight of 211.35 g/mol, XLogP of 3.01, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-4-[ethyl(methyl)amino]cyclohexan-1-one is sourced from PubChem (CID 68697231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).