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

C16H23NO2 — CID 65240649

IUPACbenzyl 2-[1-(methylamino)cyclohexyl]acetate
SMILESCNC1(CC(=O)OCc2ccccc2)CCCCC1
InChIInChI=1S/C16H23NO2/c1-17-16(10-6-3-7-11-16)12-15(18)19-13-14-8-4-2-5-9-14/h2,4-5,8-9,17H,3,6-7,10-13H2,1H3
InChIKeyAVVMJSSKEANJGW-UHFFFAOYSA-N
MW261.36 g/mol
LogP3.04
Rot. Bonds5

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

benzyl 2-[1-(methylamino)cyclohexyl]acetate (PubChem CID 65240649) has the molecular formula C16H23NO2 and a molecular weight of 261.36 g/mol. Its IUPAC name is benzyl 2-[1-(methylamino)cyclohexyl]acetate.

Molecular Properties

Compound Namebenzyl 2-[1-(methylamino)cyclohexyl]acetate
PubChem CID65240649
Molecular FormulaC16H23NO2
Molecular Weight261.36 g/mol
Exact Mass261.17
IUPAC Namebenzyl 2-[1-(methylamino)cyclohexyl]acetate
SMILESCNC1(CC(=O)OCc2ccccc2)CCCCC1
InChIInChI=1S/C16H23NO2/c1-17-16(10-6-3-7-11-16)12-15(18)19-13-14-8-4-2-5-9-14/h2,4-5,8-9,17H,3,6-7,10-13H2,1H3
InChIKeyAVVMJSSKEANJGW-UHFFFAOYSA-N
XLogP3.04
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-phenylpropyl 2-[1-(methylamino)cyclohexyl]acetate
CID 65240364
benzyl 2-[1-(dihydroxymethyl)cyclopentyl]acetate
CID 123352150
benzyl N-[1-(3-oxobutyl)cyclopentyl]carbamate
CID 59454089
4-oxo-4-[[1-(2-oxo-2-phenylmethoxyethyl)cyclopentyl]amino]-3-[(4-phenylphenyl)methyl]butanoic acid
CID 123833708
benzyl 2-(4-hydroxy-1,1-dioxothian-4-yl)acetate
CID 117272507
benzyl (2R)-2-methyl-3-(1-methylcyclohexyl)propanoate
CID 122394033
benzyl (2S)-2-methyl-3-(1-methylcyclohexyl)propanoate
CID 122394034
benzyl 2-[(1S,2S)-2-acetyloxy-1-hydroxycyclohexyl]acetate
CID 24879603
(3R)-3-(2-oxo-2-phenylmethoxyethyl)piperidine-3-carboxylic acid
CID 124673479
benzyl 2-(2,3,3-trimethyloxiran-2-yl)acetate
CID 170244870
1-phenylmethoxycarbonylcyclohexane-1-carboxylic acid
CID 69040282
tert-butyl 1-[(2-oxo-2-phenylmethoxyethyl)amino]cyclohexane-1-carboxylate
CID 171057016

Frequently Asked Questions

What is the IUPAC name of benzyl 2-[1-(methylamino)cyclohexyl]acetate?
The IUPAC name of benzyl 2-[1-(methylamino)cyclohexyl]acetate (CID 65240649) is benzyl 2-[1-(methylamino)cyclohexyl]acetate.
What is the SMILES notation for benzyl 2-[1-(methylamino)cyclohexyl]acetate?
The canonical SMILES for benzyl 2-[1-(methylamino)cyclohexyl]acetate is CNC1(CC(=O)OCc2ccccc2)CCCCC1.
What is the InChIKey of benzyl 2-[1-(methylamino)cyclohexyl]acetate?
The InChIKey is AVVMJSSKEANJGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-17-16(10-6-3-7-11-16)12-15(18)19-13-14-8-4-2-5-9-14/h2,4-5,8-9,17H,3,6-7,10-13H2,1H3.
What are the key properties of benzyl 2-[1-(methylamino)cyclohexyl]acetate?
benzyl 2-[1-(methylamino)cyclohexyl]acetate has a molecular weight of 261.36 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-[1-(methylamino)cyclohexyl]acetate is sourced from PubChem (CID 65240649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).