4-[cyclohexyl(methyl)amino]cyclohexan-1-one

C13H23NO — CID 79119763

IUPAC4-[cyclohexyl(methyl)amino]cyclohexan-1-one
SMILESCN(C1CCCCC1)C1CCC(=O)CC1
InChIInChI=1S/C13H23NO/c1-14(11-5-3-2-4-6-11)12-7-9-13(15)10-8-12/h11-12H,2-10H2,1H3
InChIKeyOHGJNACQNARBJP-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.76
Rot. Bonds2

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

4-[cyclohexyl(methyl)amino]cyclohexan-1-one (PubChem CID 79119763) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 4-[cyclohexyl(methyl)amino]cyclohexan-1-one.

Molecular Properties

Compound Name4-[cyclohexyl(methyl)amino]cyclohexan-1-one
PubChem CID79119763
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name4-[cyclohexyl(methyl)amino]cyclohexan-1-one
SMILESCN(C1CCCCC1)C1CCC(=O)CC1
InChIInChI=1S/C13H23NO/c1-14(11-5-3-2-4-6-11)12-7-9-13(15)10-8-12/h11-12H,2-10H2,1H3
InChIKeyOHGJNACQNARBJP-UHFFFAOYSA-N
XLogP2.76
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[cyclohexyl(methyl)amino]cyclohexan-1-one?
The IUPAC name of 4-[cyclohexyl(methyl)amino]cyclohexan-1-one (CID 79119763) is 4-[cyclohexyl(methyl)amino]cyclohexan-1-one.
What is the SMILES notation for 4-[cyclohexyl(methyl)amino]cyclohexan-1-one?
The canonical SMILES for 4-[cyclohexyl(methyl)amino]cyclohexan-1-one is CN(C1CCCCC1)C1CCC(=O)CC1.
What is the InChIKey of 4-[cyclohexyl(methyl)amino]cyclohexan-1-one?
The InChIKey is OHGJNACQNARBJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-14(11-5-3-2-4-6-11)12-7-9-13(15)10-8-12/h11-12H,2-10H2,1H3.
What are the key properties of 4-[cyclohexyl(methyl)amino]cyclohexan-1-one?
4-[cyclohexyl(methyl)amino]cyclohexan-1-one has a molecular weight of 209.33 g/mol, XLogP of 2.76, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclohexyl(methyl)amino]cyclohexan-1-one is sourced from PubChem (CID 79119763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).