1-(2-methylcyclohexyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine

C13H22N2S — CID 78992568

IUPAC1-(2-methylcyclohexyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine
SMILESCc1csc(CNCC2CCCCC2C)n1
InChIInChI=1S/C13H22N2S/c1-10-5-3-4-6-12(10)7-14-8-13-15-11(2)9-16-13/h9-10,12,14H,3-8H2,1-2H3
InChIKeyBEFIEKAYPDDAIU-UHFFFAOYSA-N
MW238.40 g/mol
LogP3.37
Rot. Bonds4

About 1-(2-methylcyclohexyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine

1-(2-methylcyclohexyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine (PubChem CID 78992568) has the molecular formula C13H22N2S and a molecular weight of 238.40 g/mol. Its IUPAC name is 1-(2-methylcyclohexyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(2-methylcyclohexyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine
PubChem CID78992568
Molecular FormulaC13H22N2S
Molecular Weight238.40 g/mol
Exact Mass238.15
IUPAC Name1-(2-methylcyclohexyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine
SMILESCc1csc(CNCC2CCCCC2C)n1
InChIInChI=1S/C13H22N2S/c1-10-5-3-4-6-12(10)7-14-8-13-15-11(2)9-16-13/h9-10,12,14H,3-8H2,1-2H3
InChIKeyBEFIEKAYPDDAIU-UHFFFAOYSA-N
XLogP3.37
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-bicyclo[2.2.1]heptanyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine
CID 78992569
N-[[2-[(4-methyl-1,3-thiazol-2-yl)methyl]cyclohexyl]methyl]propan-1-amine
CID 81028146
1-(4-tert-butylcyclohexyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine
CID 104574977
1-(1-ethylpyrrolidin-2-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine
CID 78992422
1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine
CID 104769990
4-[[(2-methylcyclohexyl)methylamino]methyl]-1,3-thiazole-2-carboxylic acid
CID 103243495
N-[(3,5-dimethylphenyl)methyl]-1-(2-methylcyclohexyl)methanamine
CID 63456073
1-(2-methylcyclohexyl)-N-[(4-methylphenyl)methyl]methanamine
CID 63455202
N-(1,3-benzothiazol-2-ylmethyl)-1-(2-methylcyclopentyl)methanamine
CID 107417972
1-(2-methylcyclopentyl)-N-[(2,4,6-trimethylphenyl)methyl]methanamine
CID 107417225
4-[[(2-methylcyclopentyl)methylamino]methyl]-1,3-thiazole-2-carboxylic acid
CID 107419483
4-chloro-N-[(2-methylcyclohexyl)methyl]-1,3-thiazol-2-amine
CID 83152530

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylcyclohexyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine?
The IUPAC name of 1-(2-methylcyclohexyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine (CID 78992568) is 1-(2-methylcyclohexyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine.
What is the SMILES notation for 1-(2-methylcyclohexyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine?
The canonical SMILES for 1-(2-methylcyclohexyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine is Cc1csc(CNCC2CCCCC2C)n1.
What is the InChIKey of 1-(2-methylcyclohexyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine?
The InChIKey is BEFIEKAYPDDAIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2S/c1-10-5-3-4-6-12(10)7-14-8-13-15-11(2)9-16-13/h9-10,12,14H,3-8H2,1-2H3.
What are the key properties of 1-(2-methylcyclohexyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine?
1-(2-methylcyclohexyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine has a molecular weight of 238.40 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylcyclohexyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine is sourced from PubChem (CID 78992568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).