(3,4-dimethylcyclohexyl)-(2-methyl-1,3-thiazol-4-yl)methanamine

C13H22N2S — CID 105154535

IUPAC(3,4-dimethylcyclohexyl)-(2-methyl-1,3-thiazol-4-yl)methanamine
SMILESCc1nc(C(N)C2CCC(C)C(C)C2)cs1
InChIInChI=1S/C13H22N2S/c1-8-4-5-11(6-9(8)2)13(14)12-7-16-10(3)15-12/h7-9,11,13H,4-6,14H2,1-3H3
InChIKeyZZPPLTKNKWICQX-UHFFFAOYSA-N
MW238.40 g/mol
LogP3.52
Rot. Bonds2

About (3,4-dimethylcyclohexyl)-(2-methyl-1,3-thiazol-4-yl)methanamine

(3,4-dimethylcyclohexyl)-(2-methyl-1,3-thiazol-4-yl)methanamine (PubChem CID 105154535) has the molecular formula C13H22N2S and a molecular weight of 238.40 g/mol. Its IUPAC name is (3,4-dimethylcyclohexyl)-(2-methyl-1,3-thiazol-4-yl)methanamine.

Molecular Properties

Compound Name(3,4-dimethylcyclohexyl)-(2-methyl-1,3-thiazol-4-yl)methanamine
PubChem CID105154535
Molecular FormulaC13H22N2S
Molecular Weight238.40 g/mol
Exact Mass238.15
IUPAC Name(3,4-dimethylcyclohexyl)-(2-methyl-1,3-thiazol-4-yl)methanamine
SMILESCc1nc(C(N)C2CCC(C)C(C)C2)cs1
InChIInChI=1S/C13H22N2S/c1-8-4-5-11(6-9(8)2)13(14)12-7-16-10(3)15-12/h7-9,11,13H,4-6,14H2,1-3H3
InChIKeyZZPPLTKNKWICQX-UHFFFAOYSA-N
XLogP3.52
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3,4-dimethylcyclohexyl)-(2-methyl-1,3-thiazol-4-yl)methanamine?
The IUPAC name of (3,4-dimethylcyclohexyl)-(2-methyl-1,3-thiazol-4-yl)methanamine (CID 105154535) is (3,4-dimethylcyclohexyl)-(2-methyl-1,3-thiazol-4-yl)methanamine.
What is the SMILES notation for (3,4-dimethylcyclohexyl)-(2-methyl-1,3-thiazol-4-yl)methanamine?
The canonical SMILES for (3,4-dimethylcyclohexyl)-(2-methyl-1,3-thiazol-4-yl)methanamine is Cc1nc(C(N)C2CCC(C)C(C)C2)cs1.
What is the InChIKey of (3,4-dimethylcyclohexyl)-(2-methyl-1,3-thiazol-4-yl)methanamine?
The InChIKey is ZZPPLTKNKWICQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2S/c1-8-4-5-11(6-9(8)2)13(14)12-7-16-10(3)15-12/h7-9,11,13H,4-6,14H2,1-3H3.
What are the key properties of (3,4-dimethylcyclohexyl)-(2-methyl-1,3-thiazol-4-yl)methanamine?
(3,4-dimethylcyclohexyl)-(2-methyl-1,3-thiazol-4-yl)methanamine has a molecular weight of 238.40 g/mol, XLogP of 3.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethylcyclohexyl)-(2-methyl-1,3-thiazol-4-yl)methanamine is sourced from PubChem (CID 105154535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).