N-methyl-1-(4-methylcyclohexyl)-1-(4-methyl-1,3-thiazol-5-yl)methanamine

C13H22N2S — CID 105153878

IUPACN-methyl-1-(4-methylcyclohexyl)-1-(4-methyl-1,3-thiazol-5-yl)methanamine
SMILESCNC(c1scnc1C)C1CCC(C)CC1
InChIInChI=1S/C13H22N2S/c1-9-4-6-11(7-5-9)12(14-3)13-10(2)15-8-16-13/h8-9,11-12,14H,4-7H2,1-3H3
InChIKeyYDTIJGBDLVOTGZ-UHFFFAOYSA-N
MW238.40 g/mol
LogP3.54
Rot. Bonds3

About N-methyl-1-(4-methylcyclohexyl)-1-(4-methyl-1,3-thiazol-5-yl)methanamine

N-methyl-1-(4-methylcyclohexyl)-1-(4-methyl-1,3-thiazol-5-yl)methanamine (PubChem CID 105153878) has the molecular formula C13H22N2S and a molecular weight of 238.40 g/mol. Its IUPAC name is N-methyl-1-(4-methylcyclohexyl)-1-(4-methyl-1,3-thiazol-5-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(4-methylcyclohexyl)-1-(4-methyl-1,3-thiazol-5-yl)methanamine
PubChem CID105153878
Molecular FormulaC13H22N2S
Molecular Weight238.40 g/mol
Exact Mass238.15
IUPAC NameN-methyl-1-(4-methylcyclohexyl)-1-(4-methyl-1,3-thiazol-5-yl)methanamine
SMILESCNC(c1scnc1C)C1CCC(C)CC1
InChIInChI=1S/C13H22N2S/c1-9-4-6-11(7-5-9)12(14-3)13-10(2)15-8-16-13/h8-9,11-12,14H,4-7H2,1-3H3
InChIKeyYDTIJGBDLVOTGZ-UHFFFAOYSA-N
XLogP3.54
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-methylcyclopentyl)-(4-methyl-1,3-thiazol-5-yl)methanol
CID 164650929
N-methyl-1-(4-methyl-1,3-thiazol-5-yl)-1-(1-oxaspiro[5.5]undecan-4-yl)methanamine
CID 105169889
N-methyl-1-(4-methyl-1,3-thiazol-5-yl)-1-(2-phenylcyclopropyl)methanamine
CID 105189104
1-(2,3-dimethylimidazol-4-yl)-N-methyl-1-(4-methylcyclohexyl)methanamine
CID 114283408
cyclobutyl-(4-methyl-1,3-thiazol-5-yl)methanamine
CID 83684010
1-(5-bromothiophen-3-yl)-N-methyl-1-(4-methylcyclohexyl)methanamine
CID 105153841
N-methyl-1-(4-methylcyclohexyl)-1-pyridin-2-ylmethanamine
CID 64776650
(4-ethylcyclohexyl)-(4-methyl-1,3-thiazol-5-yl)methanamine
CID 105155223
N-methyl-1-(4-methyl-1,3-thiazol-5-yl)prop-2-yn-1-amine
CID 105158458
2-cyclopentyl-1-(4-methyl-1,3-thiazol-5-yl)ethanamine
CID 105138914
N-methyl-1-(4-methyl-1,3-thiazol-5-yl)undecan-1-amine
CID 105138249
2-cyclopentyl-1-(4-methyl-1,3-thiazol-5-yl)ethanol
CID 105090377

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(4-methylcyclohexyl)-1-(4-methyl-1,3-thiazol-5-yl)methanamine?
The IUPAC name of N-methyl-1-(4-methylcyclohexyl)-1-(4-methyl-1,3-thiazol-5-yl)methanamine (CID 105153878) is N-methyl-1-(4-methylcyclohexyl)-1-(4-methyl-1,3-thiazol-5-yl)methanamine.
What is the SMILES notation for N-methyl-1-(4-methylcyclohexyl)-1-(4-methyl-1,3-thiazol-5-yl)methanamine?
The canonical SMILES for N-methyl-1-(4-methylcyclohexyl)-1-(4-methyl-1,3-thiazol-5-yl)methanamine is CNC(c1scnc1C)C1CCC(C)CC1.
What is the InChIKey of N-methyl-1-(4-methylcyclohexyl)-1-(4-methyl-1,3-thiazol-5-yl)methanamine?
The InChIKey is YDTIJGBDLVOTGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2S/c1-9-4-6-11(7-5-9)12(14-3)13-10(2)15-8-16-13/h8-9,11-12,14H,4-7H2,1-3H3.
What are the key properties of N-methyl-1-(4-methylcyclohexyl)-1-(4-methyl-1,3-thiazol-5-yl)methanamine?
N-methyl-1-(4-methylcyclohexyl)-1-(4-methyl-1,3-thiazol-5-yl)methanamine has a molecular weight of 238.40 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(4-methylcyclohexyl)-1-(4-methyl-1,3-thiazol-5-yl)methanamine is sourced from PubChem (CID 105153878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).