N-ethyl-2,4,4-trimethyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)cyclohexan-1-amine

C17H30N2S — CID 81314182

IUPACN-ethyl-2,4,4-trimethyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)cyclohexan-1-amine
SMILESCCNC1(c2nc(C(C)C)cs2)CCC(C)(C)CC1C
InChIInChI=1S/C17H30N2S/c1-7-18-17(9-8-16(5,6)10-13(17)4)15-19-14(11-20-15)12(2)3/h11-13,18H,7-10H2,1-6H3
InChIKeyVMMSHECDQHHHEG-UHFFFAOYSA-N
MW294.51 g/mol
LogP4.92
Rot. Bonds4

About N-ethyl-2,4,4-trimethyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)cyclohexan-1-amine

N-ethyl-2,4,4-trimethyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)cyclohexan-1-amine (PubChem CID 81314182) has the molecular formula C17H30N2S and a molecular weight of 294.51 g/mol. Its IUPAC name is N-ethyl-2,4,4-trimethyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-ethyl-2,4,4-trimethyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)cyclohexan-1-amine
PubChem CID81314182
Molecular FormulaC17H30N2S
Molecular Weight294.51 g/mol
Exact Mass294.21
IUPAC NameN-ethyl-2,4,4-trimethyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)cyclohexan-1-amine
SMILESCCNC1(c2nc(C(C)C)cs2)CCC(C)(C)CC1C
InChIInChI=1S/C17H30N2S/c1-7-18-17(9-8-16(5,6)10-13(17)4)15-19-14(11-20-15)12(2)3/h11-13,18H,7-10H2,1-6H3
InChIKeyVMMSHECDQHHHEG-UHFFFAOYSA-N
XLogP4.92
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.51
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-ethyl-2,4,4-trimethyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)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 N-ethyl-2,4,4-trimethyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)cyclohexan-1-amine?
The IUPAC name of N-ethyl-2,4,4-trimethyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)cyclohexan-1-amine (CID 81314182) is N-ethyl-2,4,4-trimethyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)cyclohexan-1-amine.
What is the SMILES notation for N-ethyl-2,4,4-trimethyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)cyclohexan-1-amine?
The canonical SMILES for N-ethyl-2,4,4-trimethyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)cyclohexan-1-amine is CCNC1(c2nc(C(C)C)cs2)CCC(C)(C)CC1C.
What is the InChIKey of N-ethyl-2,4,4-trimethyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)cyclohexan-1-amine?
The InChIKey is VMMSHECDQHHHEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2S/c1-7-18-17(9-8-16(5,6)10-13(17)4)15-19-14(11-20-15)12(2)3/h11-13,18H,7-10H2,1-6H3.
What are the key properties of N-ethyl-2,4,4-trimethyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)cyclohexan-1-amine?
N-ethyl-2,4,4-trimethyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)cyclohexan-1-amine has a molecular weight of 294.51 g/mol, XLogP of 4.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,4,4-trimethyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)cyclohexan-1-amine is sourced from PubChem (CID 81314182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).