1-(4-hexyl-1,3-thiazol-2-yl)-4-methylcyclohexan-1-amine

C16H28N2S — CID 102625902

IUPAC1-(4-hexyl-1,3-thiazol-2-yl)-4-methylcyclohexan-1-amine
SMILESCCCCCCc1csc(C2(N)CCC(C)CC2)n1
InChIInChI=1S/C16H28N2S/c1-3-4-5-6-7-14-12-19-15(18-14)16(17)10-8-13(2)9-11-16/h12-13H,3-11,17H2,1-2H3
InChIKeyLNKSKNWRHLVKSG-UHFFFAOYSA-N
MW280.48 g/mol
LogP4.63
Rot. Bonds6

About 1-(4-hexyl-1,3-thiazol-2-yl)-4-methylcyclohexan-1-amine

1-(4-hexyl-1,3-thiazol-2-yl)-4-methylcyclohexan-1-amine (PubChem CID 102625902) has the molecular formula C16H28N2S and a molecular weight of 280.48 g/mol. Its IUPAC name is 1-(4-hexyl-1,3-thiazol-2-yl)-4-methylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(4-hexyl-1,3-thiazol-2-yl)-4-methylcyclohexan-1-amine
PubChem CID102625902
Molecular FormulaC16H28N2S
Molecular Weight280.48 g/mol
Exact Mass280.20
IUPAC Name1-(4-hexyl-1,3-thiazol-2-yl)-4-methylcyclohexan-1-amine
SMILESCCCCCCc1csc(C2(N)CCC(C)CC2)n1
InChIInChI=1S/C16H28N2S/c1-3-4-5-6-7-14-12-19-15(18-14)16(17)10-8-13(2)9-11-16/h12-13H,3-11,17H2,1-2H3
InChIKeyLNKSKNWRHLVKSG-UHFFFAOYSA-N
XLogP4.63
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.48
LogP ≤ 54.63
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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Related Compounds

methyl 3-[2-(1-amino-4-methylcyclohexyl)-1,3-thiazol-4-yl]propanoate
CID 107039449
1-(4-propyl-1,3-thiazol-2-yl)cyclopentan-1-amine;hydrochloride
CID 120558297
4-ethyl-1-(4-ethyl-1,3-thiazol-2-yl)cyclohexan-1-amine
CID 62040434
4-dodecyl-2-(4-dodecyl-1,3-thiazol-2-yl)-1,3-thiazole
CID 141353675
1-(4-ethyl-1,3-thiazol-2-yl)cycloheptan-1-amine
CID 62040435
4-methyl-1-(5-octyl-1,2,4-oxadiazol-3-yl)cyclohexan-1-amine
CID 65426791
1-(5-hexyl-1,2,4-oxadiazol-3-yl)-4-methylcyclohexan-1-amine
CID 114753771
2-bromo-4-hexyl-1,3-thiazole
CID 68801320
1-(4-methyl-1,3-thiazol-2-yl)-4-propylcyclohexan-1-amine
CID 61332631
(4-pentyl-1,3-thiazol-2-yl)methanamine
CID 69371976
1-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-4-methylcyclohexan-1-amine
CID 61337891
[4-(4-hexyl-1,3-thiazol-2-yl)phenyl]methanamine
CID 102625963

Frequently Asked Questions

What is the IUPAC name of 1-(4-hexyl-1,3-thiazol-2-yl)-4-methylcyclohexan-1-amine?
The IUPAC name of 1-(4-hexyl-1,3-thiazol-2-yl)-4-methylcyclohexan-1-amine (CID 102625902) is 1-(4-hexyl-1,3-thiazol-2-yl)-4-methylcyclohexan-1-amine.
What is the SMILES notation for 1-(4-hexyl-1,3-thiazol-2-yl)-4-methylcyclohexan-1-amine?
The canonical SMILES for 1-(4-hexyl-1,3-thiazol-2-yl)-4-methylcyclohexan-1-amine is CCCCCCc1csc(C2(N)CCC(C)CC2)n1.
What is the InChIKey of 1-(4-hexyl-1,3-thiazol-2-yl)-4-methylcyclohexan-1-amine?
The InChIKey is LNKSKNWRHLVKSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2S/c1-3-4-5-6-7-14-12-19-15(18-14)16(17)10-8-13(2)9-11-16/h12-13H,3-11,17H2,1-2H3.
What are the key properties of 1-(4-hexyl-1,3-thiazol-2-yl)-4-methylcyclohexan-1-amine?
1-(4-hexyl-1,3-thiazol-2-yl)-4-methylcyclohexan-1-amine has a molecular weight of 280.48 g/mol, XLogP of 4.63, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hexyl-1,3-thiazol-2-yl)-4-methylcyclohexan-1-amine is sourced from PubChem (CID 102625902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).