[4-tert-butyl-1-(1,3-thiazol-5-ylmethyl)cyclohexyl]methanamine

C15H26N2S — CID 112644052

IUPAC[4-tert-butyl-1-(1,3-thiazol-5-ylmethyl)cyclohexyl]methanamine
SMILESCC(C)(C)C1CCC(CN)(Cc2cncs2)CC1
InChIInChI=1S/C15H26N2S/c1-14(2,3)12-4-6-15(10-16,7-5-12)8-13-9-17-11-18-13/h9,11-12H,4-8,10,16H2,1-3H3
InChIKeyWJIUEVUBWUFYDQ-UHFFFAOYSA-N
MW266.45 g/mol
LogP3.87
Rot. Bonds3

About [4-tert-butyl-1-(1,3-thiazol-5-ylmethyl)cyclohexyl]methanamine

[4-tert-butyl-1-(1,3-thiazol-5-ylmethyl)cyclohexyl]methanamine (PubChem CID 112644052) has the molecular formula C15H26N2S and a molecular weight of 266.45 g/mol. Its IUPAC name is [4-tert-butyl-1-(1,3-thiazol-5-ylmethyl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[4-tert-butyl-1-(1,3-thiazol-5-ylmethyl)cyclohexyl]methanamine
PubChem CID112644052
Molecular FormulaC15H26N2S
Molecular Weight266.45 g/mol
Exact Mass266.18
IUPAC Name[4-tert-butyl-1-(1,3-thiazol-5-ylmethyl)cyclohexyl]methanamine
SMILESCC(C)(C)C1CCC(CN)(Cc2cncs2)CC1
InChIInChI=1S/C15H26N2S/c1-14(2,3)12-4-6-15(10-16,7-5-12)8-13-9-17-11-18-13/h9,11-12H,4-8,10,16H2,1-3H3
InChIKeyWJIUEVUBWUFYDQ-UHFFFAOYSA-N
XLogP3.87
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.45
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-propan-2-yl-1-(1,3-thiazol-5-ylmethyl)cyclohexyl]methanamine
CID 112645146
N-[[4-tert-butyl-1-(1,3-thiazol-5-ylmethyl)cyclohexyl]methyl]propan-2-amine
CID 115979418
[3-ethyl-1-(1,3-thiazol-5-ylmethyl)cyclopentyl]methanamine
CID 112645149
4-tert-butyl-1-(1,3-thiazol-5-ylmethyl)cyclohexane-1-carbonitrile
CID 112645121
[1-[(5-bromothiophen-2-yl)methyl]-4-tert-butylcyclohexyl]methanamine
CID 63521616
[4-tert-butyl-1-[(4-iodophenyl)methyl]cyclohexyl]methanamine
CID 65488924
[4-tert-butyl-1-(trimethylsilylmethyl)cyclohexyl]methanamine
CID 106323361
[4-tert-butyl-1-[(4-methylphenyl)methyl]cyclohexyl]methanamine
CID 63523406
1-(4-tert-butylcyclohexyl)-2-(1,3-thiazol-5-yl)ethanone
CID 112642355
[4-tert-butyl-1-[2-(1-methylpyrazol-4-yl)ethyl]cyclohexyl]methanamine
CID 103014414
[4-tert-butyl-1-[(2-chlorophenyl)methyl]cyclohexyl]methanamine
CID 63521434
[4-tert-butyl-1-(3-methylbutyl)cyclohexyl]methanamine
CID 63522154

Frequently Asked Questions

What is the IUPAC name of [4-tert-butyl-1-(1,3-thiazol-5-ylmethyl)cyclohexyl]methanamine?
The IUPAC name of [4-tert-butyl-1-(1,3-thiazol-5-ylmethyl)cyclohexyl]methanamine (CID 112644052) is [4-tert-butyl-1-(1,3-thiazol-5-ylmethyl)cyclohexyl]methanamine.
What is the SMILES notation for [4-tert-butyl-1-(1,3-thiazol-5-ylmethyl)cyclohexyl]methanamine?
The canonical SMILES for [4-tert-butyl-1-(1,3-thiazol-5-ylmethyl)cyclohexyl]methanamine is CC(C)(C)C1CCC(CN)(Cc2cncs2)CC1.
What is the InChIKey of [4-tert-butyl-1-(1,3-thiazol-5-ylmethyl)cyclohexyl]methanamine?
The InChIKey is WJIUEVUBWUFYDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2S/c1-14(2,3)12-4-6-15(10-16,7-5-12)8-13-9-17-11-18-13/h9,11-12H,4-8,10,16H2,1-3H3.
What are the key properties of [4-tert-butyl-1-(1,3-thiazol-5-ylmethyl)cyclohexyl]methanamine?
[4-tert-butyl-1-(1,3-thiazol-5-ylmethyl)cyclohexyl]methanamine has a molecular weight of 266.45 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-tert-butyl-1-(1,3-thiazol-5-ylmethyl)cyclohexyl]methanamine is sourced from PubChem (CID 112644052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).