1-(4,4-dimethylcyclohexyl)-2-(5-ethylthiophen-2-yl)-N-methylethanamine

C17H29NS — CID 65391425

IUPAC1-(4,4-dimethylcyclohexyl)-2-(5-ethylthiophen-2-yl)-N-methylethanamine
SMILESCCc1ccc(CC(NC)C2CCC(C)(C)CC2)s1
InChIInChI=1S/C17H29NS/c1-5-14-6-7-15(19-14)12-16(18-4)13-8-10-17(2,3)11-9-13/h6-7,13,16,18H,5,8-12H2,1-4H3
InChIKeyJRQRPNMFJMASPV-UHFFFAOYSA-N
MW279.49 g/mol
LogP4.66
Rot. Bonds5

About 1-(4,4-dimethylcyclohexyl)-2-(5-ethylthiophen-2-yl)-N-methylethanamine

1-(4,4-dimethylcyclohexyl)-2-(5-ethylthiophen-2-yl)-N-methylethanamine (PubChem CID 65391425) has the molecular formula C17H29NS and a molecular weight of 279.49 g/mol. Its IUPAC name is 1-(4,4-dimethylcyclohexyl)-2-(5-ethylthiophen-2-yl)-N-methylethanamine.

Molecular Properties

Compound Name1-(4,4-dimethylcyclohexyl)-2-(5-ethylthiophen-2-yl)-N-methylethanamine
PubChem CID65391425
Molecular FormulaC17H29NS
Molecular Weight279.49 g/mol
Exact Mass279.20
IUPAC Name1-(4,4-dimethylcyclohexyl)-2-(5-ethylthiophen-2-yl)-N-methylethanamine
SMILESCCc1ccc(CC(NC)C2CCC(C)(C)CC2)s1
InChIInChI=1S/C17H29NS/c1-5-14-6-7-15(19-14)12-16(18-4)13-8-10-17(2,3)11-9-13/h6-7,13,16,18H,5,8-12H2,1-4H3
InChIKeyJRQRPNMFJMASPV-UHFFFAOYSA-N
XLogP4.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.49
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-ethylthiophen-2-yl)-N-methyl-1-(4-propylcyclohexyl)ethanamine
CID 65425118
2-(5-ethylthiophen-2-yl)-N-methyl-1-(2-methylcyclopropyl)ethanamine
CID 65422780
N-[1-cyclopropyl-2-(5-ethylthiophen-2-yl)ethyl]propan-1-amine
CID 62600030
N-[1-cyclohexyl-2-(5-ethylthiophen-2-yl)ethyl]propan-1-amine
CID 63413397
2-(5-ethylthiophen-2-yl)-N-methyl-1-(5-methyloxolan-2-yl)ethanamine
CID 115842333
N-ethyl-2-(5-ethylthiophen-2-yl)-1-(4-propan-2-ylcyclohexyl)ethanamine
CID 65423043
[2-(5-ethylthiophen-2-yl)-1-(oxan-4-yl)ethyl]hydrazine
CID 105229678
1-(4,4-dimethylcyclohexyl)-2-(furan-3-yl)-N-methylethanamine
CID 83174667
1-(3,4-dihydro-2H-chromen-3-yl)-2-(5-ethylthiophen-2-yl)-N-methylethanamine
CID 65410299
N-[1-(2,2-dimethylcyclohexyl)-2-(5-ethylthiophen-2-yl)ethyl]propan-1-amine
CID 107188294
3-cyclopropyl-1-(5-ethylthiophen-2-yl)butan-2-amine
CID 115842635
2-(5-bromothiophen-2-yl)-N-methyl-1-(4-propan-2-ylcyclohexyl)ethanamine
CID 65423025

Frequently Asked Questions

What is the IUPAC name of 1-(4,4-dimethylcyclohexyl)-2-(5-ethylthiophen-2-yl)-N-methylethanamine?
The IUPAC name of 1-(4,4-dimethylcyclohexyl)-2-(5-ethylthiophen-2-yl)-N-methylethanamine (CID 65391425) is 1-(4,4-dimethylcyclohexyl)-2-(5-ethylthiophen-2-yl)-N-methylethanamine.
What is the SMILES notation for 1-(4,4-dimethylcyclohexyl)-2-(5-ethylthiophen-2-yl)-N-methylethanamine?
The canonical SMILES for 1-(4,4-dimethylcyclohexyl)-2-(5-ethylthiophen-2-yl)-N-methylethanamine is CCc1ccc(CC(NC)C2CCC(C)(C)CC2)s1.
What is the InChIKey of 1-(4,4-dimethylcyclohexyl)-2-(5-ethylthiophen-2-yl)-N-methylethanamine?
The InChIKey is JRQRPNMFJMASPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NS/c1-5-14-6-7-15(19-14)12-16(18-4)13-8-10-17(2,3)11-9-13/h6-7,13,16,18H,5,8-12H2,1-4H3.
What are the key properties of 1-(4,4-dimethylcyclohexyl)-2-(5-ethylthiophen-2-yl)-N-methylethanamine?
1-(4,4-dimethylcyclohexyl)-2-(5-ethylthiophen-2-yl)-N-methylethanamine has a molecular weight of 279.49 g/mol, XLogP of 4.66, 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)-2-(5-ethylthiophen-2-yl)-N-methylethanamine is sourced from PubChem (CID 65391425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).