2-tert-butyl-1-(1,3-thiazol-2-ylmethyl)cyclohexan-1-amine

C14H24N2S — CID 79824548

IUPAC2-tert-butyl-1-(1,3-thiazol-2-ylmethyl)cyclohexan-1-amine
SMILESCC(C)(C)C1CCCCC1(N)Cc1nccs1
InChIInChI=1S/C14H24N2S/c1-13(2,3)11-6-4-5-7-14(11,15)10-12-16-8-9-17-12/h8-9,11H,4-7,10,15H2,1-3H3
InChIKeyDIZSIWRJPAGVMB-UHFFFAOYSA-N
MW252.43 g/mol
LogP3.62
Rot. Bonds2

About 2-tert-butyl-1-(1,3-thiazol-2-ylmethyl)cyclohexan-1-amine

2-tert-butyl-1-(1,3-thiazol-2-ylmethyl)cyclohexan-1-amine (PubChem CID 79824548) has the molecular formula C14H24N2S and a molecular weight of 252.43 g/mol. Its IUPAC name is 2-tert-butyl-1-(1,3-thiazol-2-ylmethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name2-tert-butyl-1-(1,3-thiazol-2-ylmethyl)cyclohexan-1-amine
PubChem CID79824548
Molecular FormulaC14H24N2S
Molecular Weight252.43 g/mol
Exact Mass252.17
IUPAC Name2-tert-butyl-1-(1,3-thiazol-2-ylmethyl)cyclohexan-1-amine
SMILESCC(C)(C)C1CCCCC1(N)Cc1nccs1
InChIInChI=1S/C14H24N2S/c1-13(2,3)11-6-4-5-7-14(11,15)10-12-16-8-9-17-12/h8-9,11H,4-7,10,15H2,1-3H3
InChIKeyDIZSIWRJPAGVMB-UHFFFAOYSA-N
XLogP3.62
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.43
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-1-(1,3-thiazol-2-ylmethyl)cyclohexan-1-amine
CID 79823883
2-tert-butyl-1-[(4-ethylphenyl)methyl]cyclohexan-1-amine
CID 63408085
2-tert-butyl-1-[(1-propylimidazol-2-yl)methyl]cyclohexan-1-amine
CID 79744341
2-tert-butyl-1-[(3,4-dimethylphenyl)methyl]cyclohexan-1-amine
CID 63408173
1-[(2-bromophenyl)methyl]-2-tert-butylcyclohexan-1-amine
CID 60799064
1-butyl-2-tert-butylcyclohexan-1-amine
CID 63408346
2-tert-butyl-1-[(1-ethylpyrazol-4-yl)methyl]cyclohexan-1-amine
CID 62127480
2-tert-butyl-1-[(3-methylphenyl)methyl]cyclohexan-1-amine
CID 60797418
2-tert-butyl-1-propylcyclohexan-1-amine
CID 43809442
2-tert-butyl-1-[(2,4-dichlorophenyl)methyl]cyclohexan-1-amine
CID 63408216
2-tert-butyl-1-[(2-fluoro-3-methoxyphenyl)methyl]cyclohexan-1-amine
CID 104793292
[2-(1,3-thiazol-2-ylmethyl)oxan-2-yl]methanamine
CID 131054151

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1-(1,3-thiazol-2-ylmethyl)cyclohexan-1-amine?
The IUPAC name of 2-tert-butyl-1-(1,3-thiazol-2-ylmethyl)cyclohexan-1-amine (CID 79824548) is 2-tert-butyl-1-(1,3-thiazol-2-ylmethyl)cyclohexan-1-amine.
What is the SMILES notation for 2-tert-butyl-1-(1,3-thiazol-2-ylmethyl)cyclohexan-1-amine?
The canonical SMILES for 2-tert-butyl-1-(1,3-thiazol-2-ylmethyl)cyclohexan-1-amine is CC(C)(C)C1CCCCC1(N)Cc1nccs1.
What is the InChIKey of 2-tert-butyl-1-(1,3-thiazol-2-ylmethyl)cyclohexan-1-amine?
The InChIKey is DIZSIWRJPAGVMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2S/c1-13(2,3)11-6-4-5-7-14(11,15)10-12-16-8-9-17-12/h8-9,11H,4-7,10,15H2,1-3H3.
What are the key properties of 2-tert-butyl-1-(1,3-thiazol-2-ylmethyl)cyclohexan-1-amine?
2-tert-butyl-1-(1,3-thiazol-2-ylmethyl)cyclohexan-1-amine has a molecular weight of 252.43 g/mol, XLogP of 3.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1-(1,3-thiazol-2-ylmethyl)cyclohexan-1-amine is sourced from PubChem (CID 79824548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).