N-(cyclohexylmethyl)-2-(5-methyl-1,3-thiazol-2-yl)ethanamine

C13H22N2S — CID 115756917

IUPACN-(cyclohexylmethyl)-2-(5-methyl-1,3-thiazol-2-yl)ethanamine
SMILESCc1cnc(CCNCC2CCCCC2)s1
InChIInChI=1S/C13H22N2S/c1-11-9-15-13(16-11)7-8-14-10-12-5-3-2-4-6-12/h9,12,14H,2-8,10H2,1H3
InChIKeyKCKMJOJMAWYWCY-UHFFFAOYSA-N
MW238.40 g/mol
LogP3.16
Rot. Bonds5

About N-(cyclohexylmethyl)-2-(5-methyl-1,3-thiazol-2-yl)ethanamine

N-(cyclohexylmethyl)-2-(5-methyl-1,3-thiazol-2-yl)ethanamine (PubChem CID 115756917) has the molecular formula C13H22N2S and a molecular weight of 238.40 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-2-(5-methyl-1,3-thiazol-2-yl)ethanamine.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-2-(5-methyl-1,3-thiazol-2-yl)ethanamine
PubChem CID115756917
Molecular FormulaC13H22N2S
Molecular Weight238.40 g/mol
Exact Mass238.15
IUPAC NameN-(cyclohexylmethyl)-2-(5-methyl-1,3-thiazol-2-yl)ethanamine
SMILESCc1cnc(CCNCC2CCCCC2)s1
InChIInChI=1S/C13H22N2S/c1-11-9-15-13(16-11)7-8-14-10-12-5-3-2-4-6-12/h9,12,14H,2-8,10H2,1H3
InChIKeyKCKMJOJMAWYWCY-UHFFFAOYSA-N
XLogP3.16
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-2-(5-methyl-1,3-thiazol-2-yl)ethanamine?
The IUPAC name of N-(cyclohexylmethyl)-2-(5-methyl-1,3-thiazol-2-yl)ethanamine (CID 115756917) is N-(cyclohexylmethyl)-2-(5-methyl-1,3-thiazol-2-yl)ethanamine.
What is the SMILES notation for N-(cyclohexylmethyl)-2-(5-methyl-1,3-thiazol-2-yl)ethanamine?
The canonical SMILES for N-(cyclohexylmethyl)-2-(5-methyl-1,3-thiazol-2-yl)ethanamine is Cc1cnc(CCNCC2CCCCC2)s1.
What is the InChIKey of N-(cyclohexylmethyl)-2-(5-methyl-1,3-thiazol-2-yl)ethanamine?
The InChIKey is KCKMJOJMAWYWCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2S/c1-11-9-15-13(16-11)7-8-14-10-12-5-3-2-4-6-12/h9,12,14H,2-8,10H2,1H3.
What are the key properties of N-(cyclohexylmethyl)-2-(5-methyl-1,3-thiazol-2-yl)ethanamine?
N-(cyclohexylmethyl)-2-(5-methyl-1,3-thiazol-2-yl)ethanamine has a molecular weight of 238.40 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-2-(5-methyl-1,3-thiazol-2-yl)ethanamine is sourced from PubChem (CID 115756917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).