N-ethyl-3,5-dimethyl-2-(2-methylbutylsulfonyl)cyclohexan-1-amine

C15H31NO2S — CID 107759816

IUPACN-ethyl-3,5-dimethyl-2-(2-methylbutylsulfonyl)cyclohexan-1-amine
SMILESCCNC1CC(C)CC(C)C1S(=O)(=O)CC(C)CC
InChIInChI=1S/C15H31NO2S/c1-6-11(3)10-19(17,18)15-13(5)8-12(4)9-14(15)16-7-2/h11-16H,6-10H2,1-5H3
InChIKeyAQFQMKHRMWOCKR-UHFFFAOYSA-N
MW289.48 g/mol
LogP2.86
Rot. Bonds6

About N-ethyl-3,5-dimethyl-2-(2-methylbutylsulfonyl)cyclohexan-1-amine

N-ethyl-3,5-dimethyl-2-(2-methylbutylsulfonyl)cyclohexan-1-amine (PubChem CID 107759816) has the molecular formula C15H31NO2S and a molecular weight of 289.48 g/mol. Its IUPAC name is N-ethyl-3,5-dimethyl-2-(2-methylbutylsulfonyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-ethyl-3,5-dimethyl-2-(2-methylbutylsulfonyl)cyclohexan-1-amine
PubChem CID107759816
Molecular FormulaC15H31NO2S
Molecular Weight289.48 g/mol
Exact Mass289.21
IUPAC NameN-ethyl-3,5-dimethyl-2-(2-methylbutylsulfonyl)cyclohexan-1-amine
SMILESCCNC1CC(C)CC(C)C1S(=O)(=O)CC(C)CC
InChIInChI=1S/C15H31NO2S/c1-6-11(3)10-19(17,18)15-13(5)8-12(4)9-14(15)16-7-2/h11-16H,6-10H2,1-5H3
InChIKeyAQFQMKHRMWOCKR-UHFFFAOYSA-N
XLogP2.86
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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

3,5-dimethyl-2-(2-methylbutylsulfonyl)-N-propylcyclohexan-1-amine
CID 107759815
2-(cyclopentylmethylsulfonyl)-N-ethyl-3,5-dimethylcyclohexan-1-amine
CID 64753287
3,5-dimethyl-N-propyl-2-propylsulfonylcyclohexan-1-amine
CID 64752897
N-ethyl-3,5-dimethyl-2-(3-methylcyclohexyl)sulfonylcyclohexan-1-amine
CID 64751898
N-ethyl-3,5-dimethyl-2-thiophen-2-ylsulfonylcyclohexan-1-amine
CID 64753066
N-ethyl-3,5-dimethyl-2-[[2-methylpropyl(propan-2-yl)amino]methyl]cyclohexan-1-amine
CID 64734674
4-methyl-2-(2-methylbutylsulfonyl)cyclohexan-1-amine
CID 107759771
1-N-ethyl-2-N,3,5-trimethyl-2-N-(3-methylbutan-2-yl)cyclohexane-1,2-diamine
CID 64722812
2-ethoxy-N-ethyl-3,5-dimethylcyclohexan-1-amine
CID 64751781
N-ethyl-3,5-dimethyl-2-(4-methylpentoxy)cyclohexan-1-amine
CID 64751794
2-(cyclopentylmethylsulfonyl)-N,3,5-trimethylcyclohexan-1-amine
CID 64753286
N-ethyl-3,5-dimethyl-2-propoxycyclohexan-1-amine
CID 64753175

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3,5-dimethyl-2-(2-methylbutylsulfonyl)cyclohexan-1-amine?
The IUPAC name of N-ethyl-3,5-dimethyl-2-(2-methylbutylsulfonyl)cyclohexan-1-amine (CID 107759816) is N-ethyl-3,5-dimethyl-2-(2-methylbutylsulfonyl)cyclohexan-1-amine.
What is the SMILES notation for N-ethyl-3,5-dimethyl-2-(2-methylbutylsulfonyl)cyclohexan-1-amine?
The canonical SMILES for N-ethyl-3,5-dimethyl-2-(2-methylbutylsulfonyl)cyclohexan-1-amine is CCNC1CC(C)CC(C)C1S(=O)(=O)CC(C)CC.
What is the InChIKey of N-ethyl-3,5-dimethyl-2-(2-methylbutylsulfonyl)cyclohexan-1-amine?
The InChIKey is AQFQMKHRMWOCKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO2S/c1-6-11(3)10-19(17,18)15-13(5)8-12(4)9-14(15)16-7-2/h11-16H,6-10H2,1-5H3.
What are the key properties of N-ethyl-3,5-dimethyl-2-(2-methylbutylsulfonyl)cyclohexan-1-amine?
N-ethyl-3,5-dimethyl-2-(2-methylbutylsulfonyl)cyclohexan-1-amine has a molecular weight of 289.48 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3,5-dimethyl-2-(2-methylbutylsulfonyl)cyclohexan-1-amine is sourced from PubChem (CID 107759816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).