N-[[4-ethyl-2-(2-ethylsulfonylethyl)cyclohexyl]methyl]ethanamine

C15H31NO2S — CID 106735597

IUPACN-[[4-ethyl-2-(2-ethylsulfonylethyl)cyclohexyl]methyl]ethanamine
SMILESCCNCC1CCC(CC)CC1CCS(=O)(=O)CC
InChIInChI=1S/C15H31NO2S/c1-4-13-7-8-15(12-16-5-2)14(11-13)9-10-19(17,18)6-3/h13-16H,4-12H2,1-3H3
InChIKeyPOAPXTKPWAXTIY-UHFFFAOYSA-N
MW289.48 g/mol
LogP2.86
Rot. Bonds8

About N-[[4-ethyl-2-(2-ethylsulfonylethyl)cyclohexyl]methyl]ethanamine

N-[[4-ethyl-2-(2-ethylsulfonylethyl)cyclohexyl]methyl]ethanamine (PubChem CID 106735597) has the molecular formula C15H31NO2S and a molecular weight of 289.48 g/mol. Its IUPAC name is N-[[4-ethyl-2-(2-ethylsulfonylethyl)cyclohexyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-ethyl-2-(2-ethylsulfonylethyl)cyclohexyl]methyl]ethanamine
PubChem CID106735597
Molecular FormulaC15H31NO2S
Molecular Weight289.48 g/mol
Exact Mass289.21
IUPAC NameN-[[4-ethyl-2-(2-ethylsulfonylethyl)cyclohexyl]methyl]ethanamine
SMILESCCNCC1CCC(CC)CC1CCS(=O)(=O)CC
InChIInChI=1S/C15H31NO2S/c1-4-13-7-8-15(12-16-5-2)14(11-13)9-10-19(17,18)6-3/h13-16H,4-12H2,1-3H3
InChIKeyPOAPXTKPWAXTIY-UHFFFAOYSA-N
XLogP2.86
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.48
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-ethyl-2-(2-propylsulfonylethyl)cyclohexyl]methyl]cyclopropanamine
CID 106735608
N-[[2-(3,3-dimethylbutyl)-4-ethylcyclohexyl]methyl]ethanamine
CID 81031709
1-[4-ethyl-2-(2-propan-2-ylsulfonylethyl)cyclohexyl]-N-methylmethanamine
CID 106735592
N,4-diethyl-2-(2-propylsulfonylethyl)cyclohexan-1-amine
CID 106727237
N-[[2-(3-ethylsulfonylpropyl)cyclopentyl]methyl]ethanamine
CID 81034450
N-[[4-ethyl-2-[3-(oxolan-2-yl)propyl]cyclohexyl]methyl]ethanamine
CID 81031337
1-chloro-4-ethyl-2-(2-propylsulfonylethyl)cyclohexane
CID 106729101
N-[[2-[(3,5-difluorophenyl)methyl]-4-ethylcyclohexyl]methyl]ethanamine
CID 105411527
N-[(2-butyl-4-ethylcyclohexyl)methyl]-2-methylpropan-1-amine
CID 81029219
N-[[2-(2-ethylsulfonylethyl)-4-methylcyclohexyl]methyl]propan-2-amine
CID 106735579
N-[[4-ethyl-2-(1,3-thiazol-2-ylmethyl)cyclohexyl]methyl]ethanamine
CID 81032468
N-[[2-(2-tert-butylsulfonylethyl)cyclopentyl]methyl]ethanamine
CID 106735488

Frequently Asked Questions

What is the IUPAC name of N-[[4-ethyl-2-(2-ethylsulfonylethyl)cyclohexyl]methyl]ethanamine?
The IUPAC name of N-[[4-ethyl-2-(2-ethylsulfonylethyl)cyclohexyl]methyl]ethanamine (CID 106735597) is N-[[4-ethyl-2-(2-ethylsulfonylethyl)cyclohexyl]methyl]ethanamine.
What is the SMILES notation for N-[[4-ethyl-2-(2-ethylsulfonylethyl)cyclohexyl]methyl]ethanamine?
The canonical SMILES for N-[[4-ethyl-2-(2-ethylsulfonylethyl)cyclohexyl]methyl]ethanamine is CCNCC1CCC(CC)CC1CCS(=O)(=O)CC.
What is the InChIKey of N-[[4-ethyl-2-(2-ethylsulfonylethyl)cyclohexyl]methyl]ethanamine?
The InChIKey is POAPXTKPWAXTIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO2S/c1-4-13-7-8-15(12-16-5-2)14(11-13)9-10-19(17,18)6-3/h13-16H,4-12H2,1-3H3.
What are the key properties of N-[[4-ethyl-2-(2-ethylsulfonylethyl)cyclohexyl]methyl]ethanamine?
N-[[4-ethyl-2-(2-ethylsulfonylethyl)cyclohexyl]methyl]ethanamine has a molecular weight of 289.48 g/mol, XLogP of 2.86, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-ethyl-2-(2-ethylsulfonylethyl)cyclohexyl]methyl]ethanamine is sourced from PubChem (CID 106735597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).