4-tert-butyl-N-ethyl-2-(3-ethylsulfonylpropyl)cyclohexan-1-amine

C17H35NO2S — CID 65097873

IUPAC4-tert-butyl-N-ethyl-2-(3-ethylsulfonylpropyl)cyclohexan-1-amine
SMILESCCNC1CCC(C(C)(C)C)CC1CCCS(=O)(=O)CC
InChIInChI=1S/C17H35NO2S/c1-6-18-16-11-10-15(17(3,4)5)13-14(16)9-8-12-21(19,20)7-2/h14-16,18H,6-13H2,1-5H3
InChIKeyDEUZKVHITATFAV-UHFFFAOYSA-N
MW317.54 g/mol
LogP3.64
Rot. Bonds7

About 4-tert-butyl-N-ethyl-2-(3-ethylsulfonylpropyl)cyclohexan-1-amine

4-tert-butyl-N-ethyl-2-(3-ethylsulfonylpropyl)cyclohexan-1-amine (PubChem CID 65097873) has the molecular formula C17H35NO2S and a molecular weight of 317.54 g/mol. Its IUPAC name is 4-tert-butyl-N-ethyl-2-(3-ethylsulfonylpropyl)cyclohexan-1-amine.

Molecular Properties

Compound Name4-tert-butyl-N-ethyl-2-(3-ethylsulfonylpropyl)cyclohexan-1-amine
PubChem CID65097873
Molecular FormulaC17H35NO2S
Molecular Weight317.54 g/mol
Exact Mass317.24
IUPAC Name4-tert-butyl-N-ethyl-2-(3-ethylsulfonylpropyl)cyclohexan-1-amine
SMILESCCNC1CCC(C(C)(C)C)CC1CCCS(=O)(=O)CC
InChIInChI=1S/C17H35NO2S/c1-6-18-16-11-10-15(17(3,4)5)13-14(16)9-8-12-21(19,20)7-2/h14-16,18H,6-13H2,1-5H3
InChIKeyDEUZKVHITATFAV-UHFFFAOYSA-N
XLogP3.64
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.54
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-tert-butyl-2-pentyl-N-propylcyclohexan-1-amine
CID 63401586
4-tert-butyl-2-(diethylaminomethyl)-N-ethylcyclohexan-1-amine
CID 63483579
2-butyl-4-tert-butyl-N-methylcyclohexan-1-amine
CID 63401093
4-tert-butyl-N-ethyl-2-[(4-methylpiperazin-1-yl)methyl]cyclohexan-1-amine
CID 62615346
4-tert-butyl-N-methyl-2-pentylcyclohexan-1-amine
CID 63401228
4-tert-butyl-2-[[cyclopropyl(methyl)amino]methyl]-N-ethylcyclohexan-1-amine
CID 62614673
4-tert-butyl-1-N-ethyl-2-N-methyl-2-N-(2-methylsulfonylethyl)cyclohexane-1,2-diamine
CID 79842762
N,4-diethyl-2-(2-propylsulfonylethyl)cyclohexan-1-amine
CID 106727237
4-tert-butyl-2-(3-methylbutyl)-N-propylcyclohexan-1-amine
CID 63401494
4-tert-butyl-2-(3-methylsulfonylpropyl)cyclohexane-1-carboxylic acid
CID 81020996
4-tert-butyl-N-ethyl-2-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]cyclohexan-1-amine
CID 115987570
3-(3-ethylsulfonylpropyl)-2-methyl-N-propylcyclopentan-1-amine
CID 65096786

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-ethyl-2-(3-ethylsulfonylpropyl)cyclohexan-1-amine?
The IUPAC name of 4-tert-butyl-N-ethyl-2-(3-ethylsulfonylpropyl)cyclohexan-1-amine (CID 65097873) is 4-tert-butyl-N-ethyl-2-(3-ethylsulfonylpropyl)cyclohexan-1-amine.
What is the SMILES notation for 4-tert-butyl-N-ethyl-2-(3-ethylsulfonylpropyl)cyclohexan-1-amine?
The canonical SMILES for 4-tert-butyl-N-ethyl-2-(3-ethylsulfonylpropyl)cyclohexan-1-amine is CCNC1CCC(C(C)(C)C)CC1CCCS(=O)(=O)CC.
What is the InChIKey of 4-tert-butyl-N-ethyl-2-(3-ethylsulfonylpropyl)cyclohexan-1-amine?
The InChIKey is DEUZKVHITATFAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NO2S/c1-6-18-16-11-10-15(17(3,4)5)13-14(16)9-8-12-21(19,20)7-2/h14-16,18H,6-13H2,1-5H3.
What are the key properties of 4-tert-butyl-N-ethyl-2-(3-ethylsulfonylpropyl)cyclohexan-1-amine?
4-tert-butyl-N-ethyl-2-(3-ethylsulfonylpropyl)cyclohexan-1-amine has a molecular weight of 317.54 g/mol, XLogP of 3.64, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-ethyl-2-(3-ethylsulfonylpropyl)cyclohexan-1-amine is sourced from PubChem (CID 65097873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).