1-(4-tert-butyl-1,3-thiazol-2-yl)-N-methyl-3-(2-methylpropyl)cyclohexan-1-amine

C18H32N2S — CID 107429503

IUPAC1-(4-tert-butyl-1,3-thiazol-2-yl)-N-methyl-3-(2-methylpropyl)cyclohexan-1-amine
SMILESCNC1(c2nc(C(C)(C)C)cs2)CCCC(CC(C)C)C1
InChIInChI=1S/C18H32N2S/c1-13(2)10-14-8-7-9-18(11-14,19-6)16-20-15(12-21-16)17(3,4)5/h12-14,19H,7-11H2,1-6H3
InChIKeyAYAUEFJSTCXGNG-UHFFFAOYSA-N
MW308.54 g/mol
LogP5.09
Rot. Bonds4

About 1-(4-tert-butyl-1,3-thiazol-2-yl)-N-methyl-3-(2-methylpropyl)cyclohexan-1-amine

1-(4-tert-butyl-1,3-thiazol-2-yl)-N-methyl-3-(2-methylpropyl)cyclohexan-1-amine (PubChem CID 107429503) has the molecular formula C18H32N2S and a molecular weight of 308.54 g/mol. Its IUPAC name is 1-(4-tert-butyl-1,3-thiazol-2-yl)-N-methyl-3-(2-methylpropyl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(4-tert-butyl-1,3-thiazol-2-yl)-N-methyl-3-(2-methylpropyl)cyclohexan-1-amine
PubChem CID107429503
Molecular FormulaC18H32N2S
Molecular Weight308.54 g/mol
Exact Mass308.23
IUPAC Name1-(4-tert-butyl-1,3-thiazol-2-yl)-N-methyl-3-(2-methylpropyl)cyclohexan-1-amine
SMILESCNC1(c2nc(C(C)(C)C)cs2)CCCC(CC(C)C)C1
InChIInChI=1S/C18H32N2S/c1-13(2)10-14-8-7-9-18(11-14,19-6)16-20-15(12-21-16)17(3,4)5/h12-14,19H,7-11H2,1-6H3
InChIKeyAYAUEFJSTCXGNG-UHFFFAOYSA-N
XLogP5.09
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.54
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-tert-butyl-1,3-thiazol-2-yl)-3-methyl-N-propan-2-ylcyclohexan-1-amine
CID 63405309
1-(4-tert-butyl-1,3-thiazol-2-yl)-N-methyl-3-propan-2-ylcyclobutan-1-amine
CID 103563897
1-(4-tert-butyl-1,3-thiazol-2-yl)-N,3,5-trimethylcyclohexan-1-amine
CID 64753474
1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-methyl-3-(2-methylpropyl)cyclohexan-1-amine
CID 107429501
1-(4-tert-butyl-1,3-thiazol-2-yl)-N,3,3,5-tetramethylcyclohexan-1-amine
CID 63405772
4-(4-tert-butyl-1,3-thiazol-2-yl)-1-ethyl-N-methylazepan-4-amine
CID 65077988
4-(4-tert-butyl-1,3-thiazol-2-yl)-N,1-dimethylpiperidin-4-amine
CID 61332937
3-(4-tert-butyl-1,3-thiazol-2-yl)-N-ethyl-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 61331445
1-(4-tert-butyl-1,3-thiazol-2-yl)-N-ethyl-3-propan-2-ylcyclobutan-1-amine
CID 103563911
4-ethyl-N-methyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)cycloheptan-1-amine
CID 65085674
1-(4-tert-butyl-1,3-thiazol-2-yl)-3-propan-2-ylcyclohexan-1-amine
CID 107449609
1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethyl-3-(2-methylpropyl)cyclohexan-1-amine
CID 107429508

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butyl-1,3-thiazol-2-yl)-N-methyl-3-(2-methylpropyl)cyclohexan-1-amine?
The IUPAC name of 1-(4-tert-butyl-1,3-thiazol-2-yl)-N-methyl-3-(2-methylpropyl)cyclohexan-1-amine (CID 107429503) is 1-(4-tert-butyl-1,3-thiazol-2-yl)-N-methyl-3-(2-methylpropyl)cyclohexan-1-amine.
What is the SMILES notation for 1-(4-tert-butyl-1,3-thiazol-2-yl)-N-methyl-3-(2-methylpropyl)cyclohexan-1-amine?
The canonical SMILES for 1-(4-tert-butyl-1,3-thiazol-2-yl)-N-methyl-3-(2-methylpropyl)cyclohexan-1-amine is CNC1(c2nc(C(C)(C)C)cs2)CCCC(CC(C)C)C1.
What is the InChIKey of 1-(4-tert-butyl-1,3-thiazol-2-yl)-N-methyl-3-(2-methylpropyl)cyclohexan-1-amine?
The InChIKey is AYAUEFJSTCXGNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2S/c1-13(2)10-14-8-7-9-18(11-14,19-6)16-20-15(12-21-16)17(3,4)5/h12-14,19H,7-11H2,1-6H3.
What are the key properties of 1-(4-tert-butyl-1,3-thiazol-2-yl)-N-methyl-3-(2-methylpropyl)cyclohexan-1-amine?
1-(4-tert-butyl-1,3-thiazol-2-yl)-N-methyl-3-(2-methylpropyl)cyclohexan-1-amine has a molecular weight of 308.54 g/mol, XLogP of 5.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butyl-1,3-thiazol-2-yl)-N-methyl-3-(2-methylpropyl)cyclohexan-1-amine is sourced from PubChem (CID 107429503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).