4-tert-butyl-3-[ethyl(methyl)amino]cyclohexan-1-one

C13H25NO — CID 165490743

IUPAC4-tert-butyl-3-[ethyl(methyl)amino]cyclohexan-1-one
SMILESCCN(C)C1CC(=O)CCC1C(C)(C)C
InChIInChI=1S/C13H25NO/c1-6-14(5)12-9-10(15)7-8-11(12)13(2,3)4/h11-12H,6-9H2,1-5H3
InChIKeyBUAAJDXEDMMVKK-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.72
Rot. Bonds2

About 4-tert-butyl-3-[ethyl(methyl)amino]cyclohexan-1-one

4-tert-butyl-3-[ethyl(methyl)amino]cyclohexan-1-one (PubChem CID 165490743) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 4-tert-butyl-3-[ethyl(methyl)amino]cyclohexan-1-one.

Molecular Properties

Compound Name4-tert-butyl-3-[ethyl(methyl)amino]cyclohexan-1-one
PubChem CID165490743
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name4-tert-butyl-3-[ethyl(methyl)amino]cyclohexan-1-one
SMILESCCN(C)C1CC(=O)CCC1C(C)(C)C
InChIInChI=1S/C13H25NO/c1-6-14(5)12-9-10(15)7-8-11(12)13(2,3)4/h11-12H,6-9H2,1-5H3
InChIKeyBUAAJDXEDMMVKK-UHFFFAOYSA-N
XLogP2.72
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-3-[ethyl(methyl)amino]cyclohexan-1-one?
The IUPAC name of 4-tert-butyl-3-[ethyl(methyl)amino]cyclohexan-1-one (CID 165490743) is 4-tert-butyl-3-[ethyl(methyl)amino]cyclohexan-1-one.
What is the SMILES notation for 4-tert-butyl-3-[ethyl(methyl)amino]cyclohexan-1-one?
The canonical SMILES for 4-tert-butyl-3-[ethyl(methyl)amino]cyclohexan-1-one is CCN(C)C1CC(=O)CCC1C(C)(C)C.
What is the InChIKey of 4-tert-butyl-3-[ethyl(methyl)amino]cyclohexan-1-one?
The InChIKey is BUAAJDXEDMMVKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-6-14(5)12-9-10(15)7-8-11(12)13(2,3)4/h11-12H,6-9H2,1-5H3.
What are the key properties of 4-tert-butyl-3-[ethyl(methyl)amino]cyclohexan-1-one?
4-tert-butyl-3-[ethyl(methyl)amino]cyclohexan-1-one has a molecular weight of 211.35 g/mol, XLogP of 2.72, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-3-[ethyl(methyl)amino]cyclohexan-1-one is sourced from PubChem (CID 165490743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).