N-[[2-(4-tert-butylcyclohexyl)-4-methyl-1,3-thiazol-5-yl]methyl]propan-1-amine

C18H32N2S — CID 65415241

IUPACN-[[2-(4-tert-butylcyclohexyl)-4-methyl-1,3-thiazol-5-yl]methyl]propan-1-amine
SMILESCCCNCc1sc(C2CCC(C(C)(C)C)CC2)nc1C
InChIInChI=1S/C18H32N2S/c1-6-11-19-12-16-13(2)20-17(21-16)14-7-9-15(10-8-14)18(3,4)5/h14-15,19H,6-12H2,1-5H3
InChIKeyXKLAQTHYBBWAFA-UHFFFAOYSA-N
MW308.54 g/mol
LogP5.27
Rot. Bonds5

About N-[[2-(4-tert-butylcyclohexyl)-4-methyl-1,3-thiazol-5-yl]methyl]propan-1-amine

N-[[2-(4-tert-butylcyclohexyl)-4-methyl-1,3-thiazol-5-yl]methyl]propan-1-amine (PubChem CID 65415241) has the molecular formula C18H32N2S and a molecular weight of 308.54 g/mol. Its IUPAC name is N-[[2-(4-tert-butylcyclohexyl)-4-methyl-1,3-thiazol-5-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-(4-tert-butylcyclohexyl)-4-methyl-1,3-thiazol-5-yl]methyl]propan-1-amine
PubChem CID65415241
Molecular FormulaC18H32N2S
Molecular Weight308.54 g/mol
Exact Mass308.23
IUPAC NameN-[[2-(4-tert-butylcyclohexyl)-4-methyl-1,3-thiazol-5-yl]methyl]propan-1-amine
SMILESCCCNCc1sc(C2CCC(C(C)(C)C)CC2)nc1C
InChIInChI=1S/C18H32N2S/c1-6-11-19-12-16-13(2)20-17(21-16)14-7-9-15(10-8-14)18(3,4)5/h14-15,19H,6-12H2,1-5H3
InChIKeyXKLAQTHYBBWAFA-UHFFFAOYSA-N
XLogP5.27
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.54
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[[2-(4-tert-butylcyclohexyl)-4-methyl-1,3-thiazol-5-yl]methyl]propan-1-amine with MolForge

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Related Compounds

N-[(2-cyclohexyl-4-methyl-1,3-thiazol-5-yl)methyl]propan-1-amine
CID 62403380
N-[(2-cyclohexyl-4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 62403369
1-[2-(4-tert-butylcyclohexyl)-4-propyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114363593
N-[[4-ethyl-2-(4-ethylcyclohexyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 104841421
[2-[4-(1,1-difluoroethyl)cyclohexyl]-4-methyl-1,3-thiazol-5-yl]methanol
CID 71198412
N-[(2-cyclopropyl-4-ethyl-1,3-thiazol-5-yl)methyl]butan-1-amine
CID 82429453
N-[[4-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 63250583
N-cyclohexyl-N,4-dimethyl-5-(propylaminomethyl)-1,3-thiazol-2-amine
CID 62764625
N-[[2-(3-methylcyclopentyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 114365150
N-[[2-(tert-butylsulfanylmethyl)-4-methyl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 65138300
N-[[4-methyl-2-(2-phenylpropan-2-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 63086416
N-[(2-cyclopropyl-4-propyl-1,3-thiazol-5-yl)methyl]-2-methoxyethanamine
CID 82432257

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-tert-butylcyclohexyl)-4-methyl-1,3-thiazol-5-yl]methyl]propan-1-amine?
The IUPAC name of N-[[2-(4-tert-butylcyclohexyl)-4-methyl-1,3-thiazol-5-yl]methyl]propan-1-amine (CID 65415241) is N-[[2-(4-tert-butylcyclohexyl)-4-methyl-1,3-thiazol-5-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-(4-tert-butylcyclohexyl)-4-methyl-1,3-thiazol-5-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-(4-tert-butylcyclohexyl)-4-methyl-1,3-thiazol-5-yl]methyl]propan-1-amine is CCCNCc1sc(C2CCC(C(C)(C)C)CC2)nc1C.
What is the InChIKey of N-[[2-(4-tert-butylcyclohexyl)-4-methyl-1,3-thiazol-5-yl]methyl]propan-1-amine?
The InChIKey is XKLAQTHYBBWAFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2S/c1-6-11-19-12-16-13(2)20-17(21-16)14-7-9-15(10-8-14)18(3,4)5/h14-15,19H,6-12H2,1-5H3.
What are the key properties of N-[[2-(4-tert-butylcyclohexyl)-4-methyl-1,3-thiazol-5-yl]methyl]propan-1-amine?
N-[[2-(4-tert-butylcyclohexyl)-4-methyl-1,3-thiazol-5-yl]methyl]propan-1-amine has a molecular weight of 308.54 g/mol, XLogP of 5.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-tert-butylcyclohexyl)-4-methyl-1,3-thiazol-5-yl]methyl]propan-1-amine is sourced from PubChem (CID 65415241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).