2-(4-tert-butylcyclohexyl)-2-(thiophen-2-ylmethylamino)ethanol

C17H29NOS — CID 104575807

IUPAC2-(4-tert-butylcyclohexyl)-2-(thiophen-2-ylmethylamino)ethanol
SMILESCC(C)(C)C1CCC(C(CO)NCc2cccs2)CC1
InChIInChI=1S/C17H29NOS/c1-17(2,3)14-8-6-13(7-9-14)16(12-19)18-11-15-5-4-10-20-15/h4-5,10,13-14,16,18-19H,6-9,11-12H2,1-3H3
InChIKeyXOVSCDHUZQJWEK-UHFFFAOYSA-N
MW295.49 g/mol
LogP4.05
Rot. Bonds5

About 2-(4-tert-butylcyclohexyl)-2-(thiophen-2-ylmethylamino)ethanol

2-(4-tert-butylcyclohexyl)-2-(thiophen-2-ylmethylamino)ethanol (PubChem CID 104575807) has the molecular formula C17H29NOS and a molecular weight of 295.49 g/mol. Its IUPAC name is 2-(4-tert-butylcyclohexyl)-2-(thiophen-2-ylmethylamino)ethanol.

Molecular Properties

Compound Name2-(4-tert-butylcyclohexyl)-2-(thiophen-2-ylmethylamino)ethanol
PubChem CID104575807
Molecular FormulaC17H29NOS
Molecular Weight295.49 g/mol
Exact Mass295.20
IUPAC Name2-(4-tert-butylcyclohexyl)-2-(thiophen-2-ylmethylamino)ethanol
SMILESCC(C)(C)C1CCC(C(CO)NCc2cccs2)CC1
InChIInChI=1S/C17H29NOS/c1-17(2,3)14-8-6-13(7-9-14)16(12-19)18-11-15-5-4-10-20-15/h4-5,10,13-14,16,18-19H,6-9,11-12H2,1-3H3
InChIKeyXOVSCDHUZQJWEK-UHFFFAOYSA-N
XLogP4.05
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.49
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyclopropyl-3-(thiophen-2-ylmethylamino)propan-1-ol
CID 115646628
2-(benzylamino)-2-(4-tert-butylcyclohexyl)ethanol
CID 104575780
methyl 3-cyclobutyl-3-(thiophen-2-ylmethylamino)propanoate
CID 134162056
1-cyclohexyl-N-(thiophen-2-ylmethyl)ethanamine
CID 43769306
N-[(4-tert-butylcyclohexyl)-thiophen-2-ylmethyl]propan-1-amine
CID 63501793
1-cyclohexyl-N-(thiophen-2-ylmethyl)ethanamine;hydrochloride
CID 69253507
4-cyclopentyl-N-(thiophen-2-ylmethyl)butan-2-amine
CID 115644666
ethyl 2-cyclopropyl-2-(thiophen-2-ylmethylamino)acetate
CID 61310739
N-(thiophen-2-ylmethyl)-1-[4-(trifluoromethyl)cyclohexyl]methanamine
CID 79072850
1-(1-methylpiperidin-4-yl)-N-(thiophen-2-ylmethyl)ethanamine
CID 43308377
1-[(2S)-2-cyclopropyl-2-hydroxypropyl]-3-(thiophen-2-ylmethyl)urea
CID 94909098
1-(1-ethylpiperidin-4-yl)-N-(thiophen-2-ylmethyl)ethanamine
CID 43308376

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylcyclohexyl)-2-(thiophen-2-ylmethylamino)ethanol?
The IUPAC name of 2-(4-tert-butylcyclohexyl)-2-(thiophen-2-ylmethylamino)ethanol (CID 104575807) is 2-(4-tert-butylcyclohexyl)-2-(thiophen-2-ylmethylamino)ethanol.
What is the SMILES notation for 2-(4-tert-butylcyclohexyl)-2-(thiophen-2-ylmethylamino)ethanol?
The canonical SMILES for 2-(4-tert-butylcyclohexyl)-2-(thiophen-2-ylmethylamino)ethanol is CC(C)(C)C1CCC(C(CO)NCc2cccs2)CC1.
What is the InChIKey of 2-(4-tert-butylcyclohexyl)-2-(thiophen-2-ylmethylamino)ethanol?
The InChIKey is XOVSCDHUZQJWEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NOS/c1-17(2,3)14-8-6-13(7-9-14)16(12-19)18-11-15-5-4-10-20-15/h4-5,10,13-14,16,18-19H,6-9,11-12H2,1-3H3.
What are the key properties of 2-(4-tert-butylcyclohexyl)-2-(thiophen-2-ylmethylamino)ethanol?
2-(4-tert-butylcyclohexyl)-2-(thiophen-2-ylmethylamino)ethanol has a molecular weight of 295.49 g/mol, XLogP of 4.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylcyclohexyl)-2-(thiophen-2-ylmethylamino)ethanol is sourced from PubChem (CID 104575807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).