4-(2-methylbutan-2-yl)-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]cyclohexan-1-amine

C17H30N2S — CID 43778912

IUPAC4-(2-methylbutan-2-yl)-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]cyclohexan-1-amine
SMILESCCC(C)(C)C1CCC(NC(C)c2scnc2C)CC1
InChIInChI=1S/C17H30N2S/c1-6-17(4,5)14-7-9-15(10-8-14)19-13(3)16-12(2)18-11-20-16/h11,13-15,19H,6-10H2,1-5H3
InChIKeyTVDKOGTVDSNISG-UHFFFAOYSA-N
MW294.51 g/mol
LogP5.10
Rot. Bonds5

About 4-(2-methylbutan-2-yl)-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]cyclohexan-1-amine

4-(2-methylbutan-2-yl)-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]cyclohexan-1-amine (PubChem CID 43778912) has the molecular formula C17H30N2S and a molecular weight of 294.51 g/mol. Its IUPAC name is 4-(2-methylbutan-2-yl)-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-(2-methylbutan-2-yl)-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]cyclohexan-1-amine
PubChem CID43778912
Molecular FormulaC17H30N2S
Molecular Weight294.51 g/mol
Exact Mass294.21
IUPAC Name4-(2-methylbutan-2-yl)-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]cyclohexan-1-amine
SMILESCCC(C)(C)C1CCC(NC(C)c2scnc2C)CC1
InChIInChI=1S/C17H30N2S/c1-6-17(4,5)14-7-9-15(10-8-14)19-13(3)16-12(2)18-11-20-16/h11,13-15,19H,6-10H2,1-5H3
InChIKeyTVDKOGTVDSNISG-UHFFFAOYSA-N
XLogP5.10
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.51
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(2-methylbutan-2-yl)-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]cyclohexan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylbutan-2-yl)-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]cyclohexan-1-amine?
The IUPAC name of 4-(2-methylbutan-2-yl)-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]cyclohexan-1-amine (CID 43778912) is 4-(2-methylbutan-2-yl)-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]cyclohexan-1-amine.
What is the SMILES notation for 4-(2-methylbutan-2-yl)-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]cyclohexan-1-amine?
The canonical SMILES for 4-(2-methylbutan-2-yl)-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]cyclohexan-1-amine is CCC(C)(C)C1CCC(NC(C)c2scnc2C)CC1.
What is the InChIKey of 4-(2-methylbutan-2-yl)-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]cyclohexan-1-amine?
The InChIKey is TVDKOGTVDSNISG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2S/c1-6-17(4,5)14-7-9-15(10-8-14)19-13(3)16-12(2)18-11-20-16/h11,13-15,19H,6-10H2,1-5H3.
What are the key properties of 4-(2-methylbutan-2-yl)-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]cyclohexan-1-amine?
4-(2-methylbutan-2-yl)-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]cyclohexan-1-amine has a molecular weight of 294.51 g/mol, XLogP of 5.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylbutan-2-yl)-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]cyclohexan-1-amine is sourced from PubChem (CID 43778912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).