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

C14H24N2S — CID 63019111

IUPACN-[[1-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclohexyl]methyl]ethanamine
SMILESCCNCC1(Cc2cnc(C)s2)CCCCC1
InChIInChI=1S/C14H24N2S/c1-3-15-11-14(7-5-4-6-8-14)9-13-10-16-12(2)17-13/h10,15H,3-9,11H2,1-2H3
InChIKeySJVSYJOJEGAMCG-UHFFFAOYSA-N
MW252.43 g/mol
LogP3.55
Rot. Bonds5

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

N-[[1-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclohexyl]methyl]ethanamine (PubChem CID 63019111) has the molecular formula C14H24N2S and a molecular weight of 252.43 g/mol. Its IUPAC name is N-[[1-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclohexyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclohexyl]methyl]ethanamine
PubChem CID63019111
Molecular FormulaC14H24N2S
Molecular Weight252.43 g/mol
Exact Mass252.17
IUPAC NameN-[[1-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclohexyl]methyl]ethanamine
SMILESCCNCC1(Cc2cnc(C)s2)CCCCC1
InChIInChI=1S/C14H24N2S/c1-3-15-11-14(7-5-4-6-8-14)9-13-10-16-12(2)17-13/h10,15H,3-9,11H2,1-2H3
InChIKeySJVSYJOJEGAMCG-UHFFFAOYSA-N
XLogP3.55
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.43
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclohexyl]methyl]ethanamine?
The IUPAC name of N-[[1-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclohexyl]methyl]ethanamine (CID 63019111) is N-[[1-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclohexyl]methyl]ethanamine.
What is the SMILES notation for N-[[1-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclohexyl]methyl]ethanamine?
The canonical SMILES for N-[[1-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclohexyl]methyl]ethanamine is CCNCC1(Cc2cnc(C)s2)CCCCC1.
What is the InChIKey of N-[[1-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclohexyl]methyl]ethanamine?
The InChIKey is SJVSYJOJEGAMCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2S/c1-3-15-11-14(7-5-4-6-8-14)9-13-10-16-12(2)17-13/h10,15H,3-9,11H2,1-2H3.
What are the key properties of N-[[1-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclohexyl]methyl]ethanamine?
N-[[1-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclohexyl]methyl]ethanamine has a molecular weight of 252.43 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclohexyl]methyl]ethanamine is sourced from PubChem (CID 63019111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).