ethane;2-(methylamino)cyclohexan-1-one;toluene

C16H27NO — CID 156803388

IUPACethane;2-(methylamino)cyclohexan-1-one;toluene
SMILESCC.CNC1CCCCC1=O.Cc1ccccc1
InChIInChI=1S/C7H13NO.C7H8.C2H6/c1-8-6-4-2-3-5-7(6)9;1-7-5-3-2-4-6-7;1-2/h6,8H,2-5H2,1H3;2-6H,1H3;1-2H3
InChIKeyIEOUIVLSOOCTBJ-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.74
Rot. Bonds1

About ethane;2-(methylamino)cyclohexan-1-one;toluene

ethane;2-(methylamino)cyclohexan-1-one;toluene (PubChem CID 156803388) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is ethane;2-(methylamino)cyclohexan-1-one;toluene.

Molecular Properties

Compound Nameethane;2-(methylamino)cyclohexan-1-one;toluene
PubChem CID156803388
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Nameethane;2-(methylamino)cyclohexan-1-one;toluene
SMILESCC.CNC1CCCCC1=O.Cc1ccccc1
InChIInChI=1S/C7H13NO.C7H8.C2H6/c1-8-6-4-2-3-5-7(6)9;1-7-5-3-2-4-6-7;1-2/h6,8H,2-5H2,1H3;2-6H,1H3;1-2H3
InChIKeyIEOUIVLSOOCTBJ-UHFFFAOYSA-N
XLogP3.74
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;2-(methylamino)cyclohexan-1-one;toluene?
The IUPAC name of ethane;2-(methylamino)cyclohexan-1-one;toluene (CID 156803388) is ethane;2-(methylamino)cyclohexan-1-one;toluene.
What is the SMILES notation for ethane;2-(methylamino)cyclohexan-1-one;toluene?
The canonical SMILES for ethane;2-(methylamino)cyclohexan-1-one;toluene is CC.CNC1CCCCC1=O.Cc1ccccc1.
What is the InChIKey of ethane;2-(methylamino)cyclohexan-1-one;toluene?
The InChIKey is IEOUIVLSOOCTBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO.C7H8.C2H6/c1-8-6-4-2-3-5-7(6)9;1-7-5-3-2-4-6-7;1-2/h6,8H,2-5H2,1H3;2-6H,1H3;1-2H3.
What are the key properties of ethane;2-(methylamino)cyclohexan-1-one;toluene?
ethane;2-(methylamino)cyclohexan-1-one;toluene has a molecular weight of 249.40 g/mol, XLogP of 3.74, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(methylamino)cyclohexan-1-one;toluene is sourced from PubChem (CID 156803388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).