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

C13H25NO — CID 82927370

IUPAC4-[2-ethylbutyl(methyl)amino]cyclohexan-1-one
SMILESCCC(CC)CN(C)C1CCC(=O)CC1
InChIInChI=1S/C13H25NO/c1-4-11(5-2)10-14(3)12-6-8-13(15)9-7-12/h11-12H,4-10H2,1-3H3
InChIKeyYJENTEGHHLCOMR-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.87
Rot. Bonds5

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

4-[2-ethylbutyl(methyl)amino]cyclohexan-1-one (PubChem CID 82927370) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 4-[2-ethylbutyl(methyl)amino]cyclohexan-1-one.

Molecular Properties

Compound Name4-[2-ethylbutyl(methyl)amino]cyclohexan-1-one
PubChem CID82927370
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name4-[2-ethylbutyl(methyl)amino]cyclohexan-1-one
SMILESCCC(CC)CN(C)C1CCC(=O)CC1
InChIInChI=1S/C13H25NO/c1-4-11(5-2)10-14(3)12-6-8-13(15)9-7-12/h11-12H,4-10H2,1-3H3
InChIKeyYJENTEGHHLCOMR-UHFFFAOYSA-N
XLogP2.87
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 ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[2-ethylbutyl(methyl)amino]cyclohexan-1-one?
The IUPAC name of 4-[2-ethylbutyl(methyl)amino]cyclohexan-1-one (CID 82927370) is 4-[2-ethylbutyl(methyl)amino]cyclohexan-1-one.
What is the SMILES notation for 4-[2-ethylbutyl(methyl)amino]cyclohexan-1-one?
The canonical SMILES for 4-[2-ethylbutyl(methyl)amino]cyclohexan-1-one is CCC(CC)CN(C)C1CCC(=O)CC1.
What is the InChIKey of 4-[2-ethylbutyl(methyl)amino]cyclohexan-1-one?
The InChIKey is YJENTEGHHLCOMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-4-11(5-2)10-14(3)12-6-8-13(15)9-7-12/h11-12H,4-10H2,1-3H3.
What are the key properties of 4-[2-ethylbutyl(methyl)amino]cyclohexan-1-one?
4-[2-ethylbutyl(methyl)amino]cyclohexan-1-one has a molecular weight of 211.35 g/mol, XLogP of 2.87, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-ethylbutyl(methyl)amino]cyclohexan-1-one is sourced from PubChem (CID 82927370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).