1-(4-tert-butyl-1,3-thiazol-2-yl)-2,5-dimethyl-N-propan-2-ylcyclohexan-1-amine

C18H32N2S — CID 64754163

IUPAC1-(4-tert-butyl-1,3-thiazol-2-yl)-2,5-dimethyl-N-propan-2-ylcyclohexan-1-amine
SMILESCC1CCC(C)C(NC(C)C)(c2nc(C(C)(C)C)cs2)C1
InChIInChI=1S/C18H32N2S/c1-12(2)20-18(10-13(3)8-9-14(18)4)16-19-15(11-21-16)17(5,6)7/h11-14,20H,8-10H2,1-7H3
InChIKeyTVDOFUGQWFNJSY-UHFFFAOYSA-N
MW308.54 g/mol
LogP5.09
Rot. Bonds3

About 1-(4-tert-butyl-1,3-thiazol-2-yl)-2,5-dimethyl-N-propan-2-ylcyclohexan-1-amine

1-(4-tert-butyl-1,3-thiazol-2-yl)-2,5-dimethyl-N-propan-2-ylcyclohexan-1-amine (PubChem CID 64754163) 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)-2,5-dimethyl-N-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(4-tert-butyl-1,3-thiazol-2-yl)-2,5-dimethyl-N-propan-2-ylcyclohexan-1-amine
PubChem CID64754163
Molecular FormulaC18H32N2S
Molecular Weight308.54 g/mol
Exact Mass308.23
IUPAC Name1-(4-tert-butyl-1,3-thiazol-2-yl)-2,5-dimethyl-N-propan-2-ylcyclohexan-1-amine
SMILESCC1CCC(C)C(NC(C)C)(c2nc(C(C)(C)C)cs2)C1
InChIInChI=1S/C18H32N2S/c1-12(2)20-18(10-13(3)8-9-14(18)4)16-19-15(11-21-16)17(5,6)7/h11-14,20H,8-10H2,1-7H3
InChIKeyTVDOFUGQWFNJSY-UHFFFAOYSA-N
XLogP5.09
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

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

Analyze 1-(4-tert-butyl-1,3-thiazol-2-yl)-2,5-dimethyl-N-propan-2-ylcyclohexan-1-amine with MolForge

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Related Compounds

1-(4-tert-butyl-1,3-thiazol-2-yl)-N-cyclopropyl-2,5-dimethylcyclohexan-1-amine
CID 64755801
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-cyclopropyl-2,4-dimethylcyclohexan-1-amine
CID 64755800
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)-3-methylcyclobutan-1-amine
CID 103563880
2-methyl-1-(4-methyl-1,3-thiazol-2-yl)-N-propan-2-ylcyclohexan-1-amine
CID 61333826
1-(4-tert-butyl-1,3-thiazol-2-yl)-N-methyl-3-(2-methylpropyl)cyclohexan-1-amine
CID 107429503
1-(4-tert-butyl-1,3-thiazol-2-yl)-N,3,5-trimethylcyclohexan-1-amine
CID 64753474
3-(4-tert-butyl-1,3-thiazol-2-yl)-N-propan-2-yloxolan-3-amine
CID 63332901
1-(4-tert-butyl-1,3-thiazol-2-yl)-N-ethyl-3-propan-2-ylcyclobutan-1-amine
CID 103563911
1-(4-tert-butyl-1,3-thiazol-2-yl)-3-propan-2-ylcyclobutan-1-amine
CID 103563879
1-(4-tert-butyl-1,3-thiazol-2-yl)-3,5-dimethyl-N-propylcyclohexan-1-amine
CID 64751126

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butyl-1,3-thiazol-2-yl)-2,5-dimethyl-N-propan-2-ylcyclohexan-1-amine?
The IUPAC name of 1-(4-tert-butyl-1,3-thiazol-2-yl)-2,5-dimethyl-N-propan-2-ylcyclohexan-1-amine (CID 64754163) is 1-(4-tert-butyl-1,3-thiazol-2-yl)-2,5-dimethyl-N-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for 1-(4-tert-butyl-1,3-thiazol-2-yl)-2,5-dimethyl-N-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for 1-(4-tert-butyl-1,3-thiazol-2-yl)-2,5-dimethyl-N-propan-2-ylcyclohexan-1-amine is CC1CCC(C)C(NC(C)C)(c2nc(C(C)(C)C)cs2)C1.
What is the InChIKey of 1-(4-tert-butyl-1,3-thiazol-2-yl)-2,5-dimethyl-N-propan-2-ylcyclohexan-1-amine?
The InChIKey is TVDOFUGQWFNJSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2S/c1-12(2)20-18(10-13(3)8-9-14(18)4)16-19-15(11-21-16)17(5,6)7/h11-14,20H,8-10H2,1-7H3.
What are the key properties of 1-(4-tert-butyl-1,3-thiazol-2-yl)-2,5-dimethyl-N-propan-2-ylcyclohexan-1-amine?
1-(4-tert-butyl-1,3-thiazol-2-yl)-2,5-dimethyl-N-propan-2-ylcyclohexan-1-amine has a molecular weight of 308.54 g/mol, XLogP of 5.09, 3 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)-2,5-dimethyl-N-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 64754163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).