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

C13H22N2S — CID 63019110

IUPACN-methyl-1-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclohexyl]methanamine
SMILESCNCC1(Cc2cnc(C)s2)CCCCC1
InChIInChI=1S/C13H22N2S/c1-11-15-9-12(16-11)8-13(10-14-2)6-4-3-5-7-13/h9,14H,3-8,10H2,1-2H3
InChIKeyRLYJJVYDZAVYDX-UHFFFAOYSA-N
MW238.40 g/mol
LogP3.16
Rot. Bonds4

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

N-methyl-1-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclohexyl]methanamine (PubChem CID 63019110) has the molecular formula C13H22N2S and a molecular weight of 238.40 g/mol. Its IUPAC name is N-methyl-1-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclohexyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclohexyl]methanamine
PubChem CID63019110
Molecular FormulaC13H22N2S
Molecular Weight238.40 g/mol
Exact Mass238.15
IUPAC NameN-methyl-1-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclohexyl]methanamine
SMILESCNCC1(Cc2cnc(C)s2)CCCCC1
InChIInChI=1S/C13H22N2S/c1-11-15-9-12(16-11)8-13(10-14-2)6-4-3-5-7-13/h9,14H,3-8,10H2,1-2H3
InChIKeyRLYJJVYDZAVYDX-UHFFFAOYSA-N
XLogP3.16
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 ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclohexyl]methanamine?
The IUPAC name of N-methyl-1-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclohexyl]methanamine (CID 63019110) is N-methyl-1-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclohexyl]methanamine.
What is the SMILES notation for N-methyl-1-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclohexyl]methanamine?
The canonical SMILES for N-methyl-1-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclohexyl]methanamine is CNCC1(Cc2cnc(C)s2)CCCCC1.
What is the InChIKey of N-methyl-1-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclohexyl]methanamine?
The InChIKey is RLYJJVYDZAVYDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2S/c1-11-15-9-12(16-11)8-13(10-14-2)6-4-3-5-7-13/h9,14H,3-8,10H2,1-2H3.
What are the key properties of N-methyl-1-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclohexyl]methanamine?
N-methyl-1-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclohexyl]methanamine has a molecular weight of 238.40 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclohexyl]methanamine is sourced from PubChem (CID 63019110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).