cyclohexyl 2-[1-(methylamino)cyclohexyl]acetate

C15H27NO2 — CID 65240602

IUPACcyclohexyl 2-[1-(methylamino)cyclohexyl]acetate
SMILESCNC1(CC(=O)OC2CCCCC2)CCCCC1
InChIInChI=1S/C15H27NO2/c1-16-15(10-6-3-7-11-15)12-14(17)18-13-8-4-2-5-9-13/h13,16H,2-12H2,1H3
InChIKeyLXADNQHLFKUSOW-UHFFFAOYSA-N
MW253.39 g/mol
LogP3.17
Rot. Bonds4

About cyclohexyl 2-[1-(methylamino)cyclohexyl]acetate

cyclohexyl 2-[1-(methylamino)cyclohexyl]acetate (PubChem CID 65240602) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is cyclohexyl 2-[1-(methylamino)cyclohexyl]acetate.

Molecular Properties

Compound Namecyclohexyl 2-[1-(methylamino)cyclohexyl]acetate
PubChem CID65240602
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Namecyclohexyl 2-[1-(methylamino)cyclohexyl]acetate
SMILESCNC1(CC(=O)OC2CCCCC2)CCCCC1
InChIInChI=1S/C15H27NO2/c1-16-15(10-6-3-7-11-15)12-14(17)18-13-8-4-2-5-9-13/h13,16H,2-12H2,1H3
InChIKeyLXADNQHLFKUSOW-UHFFFAOYSA-N
XLogP3.17
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

oxan-4-ylmethyl 2-[1-(methylamino)cyclohexyl]acetate
CID 65240412
1-cyclopropyl-3-[1-(methylamino)cyclohexyl]propan-2-one
CID 116575528
cyclohexyl propanoate;dihydrochloride
CID 172803130
benzyl 2-[1-(methylamino)cyclohexyl]acetate
CID 65240649
1-cyclobutyl-3-[1-(methylamino)cyclohexyl]propan-2-one
CID 116575370
methyl 2-[8-(methylamino)spiro[4.5]decan-8-yl]acetate
CID 114820854
butane;3-cyclohexyloxy-3-oxopropanoic acid
CID 70481739
2-propoxyethyl 2-[1-(methylamino)cyclohexyl]acetate
CID 65240459
N-[(1S,2S)-2-hydroxycyclohexyl]-2-[1-(methylamino)cyclohexyl]acetamide
CID 107221672
4-cyclopropyl-1-[1-(methylamino)cyclohexyl]butan-2-one
CID 116575501
dicyclononyl carbonate
CID 139618210
dicyclohexyl pentanedioate
CID 15593941

Frequently Asked Questions

What is the IUPAC name of cyclohexyl 2-[1-(methylamino)cyclohexyl]acetate?
The IUPAC name of cyclohexyl 2-[1-(methylamino)cyclohexyl]acetate (CID 65240602) is cyclohexyl 2-[1-(methylamino)cyclohexyl]acetate.
What is the SMILES notation for cyclohexyl 2-[1-(methylamino)cyclohexyl]acetate?
The canonical SMILES for cyclohexyl 2-[1-(methylamino)cyclohexyl]acetate is CNC1(CC(=O)OC2CCCCC2)CCCCC1.
What is the InChIKey of cyclohexyl 2-[1-(methylamino)cyclohexyl]acetate?
The InChIKey is LXADNQHLFKUSOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2/c1-16-15(10-6-3-7-11-15)12-14(17)18-13-8-4-2-5-9-13/h13,16H,2-12H2,1H3.
What are the key properties of cyclohexyl 2-[1-(methylamino)cyclohexyl]acetate?
cyclohexyl 2-[1-(methylamino)cyclohexyl]acetate has a molecular weight of 253.39 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl 2-[1-(methylamino)cyclohexyl]acetate is sourced from PubChem (CID 65240602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).