1-(4,4-dimethylcyclohexyl)-N-ethyl-2-thiophen-2-ylethanamine

C16H27NS — CID 65389654

IUPAC1-(4,4-dimethylcyclohexyl)-N-ethyl-2-thiophen-2-ylethanamine
SMILESCCNC(Cc1cccs1)C1CCC(C)(C)CC1
InChIInChI=1S/C16H27NS/c1-4-17-15(12-14-6-5-11-18-14)13-7-9-16(2,3)10-8-13/h5-6,11,13,15,17H,4,7-10,12H2,1-3H3
InChIKeyGFDFUROEDRWJME-UHFFFAOYSA-N
MW265.47 g/mol
LogP4.49
Rot. Bonds5

About 1-(4,4-dimethylcyclohexyl)-N-ethyl-2-thiophen-2-ylethanamine

1-(4,4-dimethylcyclohexyl)-N-ethyl-2-thiophen-2-ylethanamine (PubChem CID 65389654) has the molecular formula C16H27NS and a molecular weight of 265.47 g/mol. Its IUPAC name is 1-(4,4-dimethylcyclohexyl)-N-ethyl-2-thiophen-2-ylethanamine.

Molecular Properties

Compound Name1-(4,4-dimethylcyclohexyl)-N-ethyl-2-thiophen-2-ylethanamine
PubChem CID65389654
Molecular FormulaC16H27NS
Molecular Weight265.47 g/mol
Exact Mass265.19
IUPAC Name1-(4,4-dimethylcyclohexyl)-N-ethyl-2-thiophen-2-ylethanamine
SMILESCCNC(Cc1cccs1)C1CCC(C)(C)CC1
InChIInChI=1S/C16H27NS/c1-4-17-15(12-14-6-5-11-18-14)13-7-9-16(2,3)10-8-13/h5-6,11,13,15,17H,4,7-10,12H2,1-3H3
InChIKeyGFDFUROEDRWJME-UHFFFAOYSA-N
XLogP4.49
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.47
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(4,4-dimethylcyclohexyl)-N-ethyl-2-thiophen-2-ylethanamine with MolForge

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

Launch Full Analysis

Related Compounds

1-cyclopentyl-N-ethyl-2-thiophen-2-ylethanamine
CID 61065338
N-ethyl-1-(5-oxaspiro[3.5]nonan-8-yl)-2-thiophen-2-ylethanamine
CID 79914388
2-(4-bromothiophen-2-yl)-1-(4,4-dimethylcyclohexyl)-N-ethylethanamine
CID 65389662
1-(4,4-dimethylcyclohexyl)-N-ethyl-2-phenylethanamine
CID 65391828
N-(1-cyclopentyl-2-thiophen-2-ylethyl)propan-1-amine
CID 61064990
N-(1-cyclohexyl-2-thiophen-2-ylethyl)propan-1-amine
CID 61066233
N-[1-(4-propan-2-ylcyclohexyl)-2-thiophen-2-ylethyl]propan-1-amine
CID 65424402
N-ethyl-1-(2-methylcyclopentyl)-2-thiophen-2-ylethanamine
CID 107179496
N-ethyl-1-(5-methyloxolan-2-yl)-2-thiophen-2-ylethanamine
CID 115840777
N-ethyl-1-(2-ethylcyclohexyl)-2-thiophen-2-ylethanamine
CID 63861481
1-(4,4-dimethylcyclohexyl)-N-ethyl-2-(4-iodophenyl)ethanamine
CID 65479391
2-[(4,4-dimethylcyclohexyl)methyl]thiophene
CID 141443372

Frequently Asked Questions

What is the IUPAC name of 1-(4,4-dimethylcyclohexyl)-N-ethyl-2-thiophen-2-ylethanamine?
The IUPAC name of 1-(4,4-dimethylcyclohexyl)-N-ethyl-2-thiophen-2-ylethanamine (CID 65389654) is 1-(4,4-dimethylcyclohexyl)-N-ethyl-2-thiophen-2-ylethanamine.
What is the SMILES notation for 1-(4,4-dimethylcyclohexyl)-N-ethyl-2-thiophen-2-ylethanamine?
The canonical SMILES for 1-(4,4-dimethylcyclohexyl)-N-ethyl-2-thiophen-2-ylethanamine is CCNC(Cc1cccs1)C1CCC(C)(C)CC1.
What is the InChIKey of 1-(4,4-dimethylcyclohexyl)-N-ethyl-2-thiophen-2-ylethanamine?
The InChIKey is GFDFUROEDRWJME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NS/c1-4-17-15(12-14-6-5-11-18-14)13-7-9-16(2,3)10-8-13/h5-6,11,13,15,17H,4,7-10,12H2,1-3H3.
What are the key properties of 1-(4,4-dimethylcyclohexyl)-N-ethyl-2-thiophen-2-ylethanamine?
1-(4,4-dimethylcyclohexyl)-N-ethyl-2-thiophen-2-ylethanamine has a molecular weight of 265.47 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-dimethylcyclohexyl)-N-ethyl-2-thiophen-2-ylethanamine is sourced from PubChem (CID 65389654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).