[3-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclohexyl]methanamine

C13H22N2S — CID 65393632

IUPAC[3-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclohexyl]methanamine
SMILESCc1ncc(CC2(CN)CCCC(C)C2)s1
InChIInChI=1S/C13H22N2S/c1-10-4-3-5-13(6-10,9-14)7-12-8-15-11(2)16-12/h8,10H,3-7,9,14H2,1-2H3
InChIKeyLKUXPSVYHOWCBS-UHFFFAOYSA-N
MW238.40 g/mol
LogP3.15
Rot. Bonds3

About [3-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclohexyl]methanamine

[3-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclohexyl]methanamine (PubChem CID 65393632) has the molecular formula C13H22N2S and a molecular weight of 238.40 g/mol. Its IUPAC name is [3-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclohexyl]methanamine.

Molecular Properties

Compound Name[3-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclohexyl]methanamine
PubChem CID65393632
Molecular FormulaC13H22N2S
Molecular Weight238.40 g/mol
Exact Mass238.15
IUPAC Name[3-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclohexyl]methanamine
SMILESCc1ncc(CC2(CN)CCCC(C)C2)s1
InChIInChI=1S/C13H22N2S/c1-10-4-3-5-13(6-10,9-14)7-12-8-15-11(2)16-12/h8,10H,3-7,9,14H2,1-2H3
InChIKeyLKUXPSVYHOWCBS-UHFFFAOYSA-N
XLogP3.15
TPSA38.91 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 ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclohexyl]methanamine?
The IUPAC name of [3-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclohexyl]methanamine (CID 65393632) is [3-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclohexyl]methanamine.
What is the SMILES notation for [3-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclohexyl]methanamine?
The canonical SMILES for [3-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclohexyl]methanamine is Cc1ncc(CC2(CN)CCCC(C)C2)s1.
What is the InChIKey of [3-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclohexyl]methanamine?
The InChIKey is LKUXPSVYHOWCBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2S/c1-10-4-3-5-13(6-10,9-14)7-12-8-15-11(2)16-12/h8,10H,3-7,9,14H2,1-2H3.
What are the key properties of [3-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclohexyl]methanamine?
[3-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclohexyl]methanamine has a molecular weight of 238.40 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclohexyl]methanamine is sourced from PubChem (CID 65393632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).