6-[1-(5-methylthiophen-2-yl)ethylamino]hexan-3-ol

C13H23NOS — CID 115891820

IUPAC6-[1-(5-methylthiophen-2-yl)ethylamino]hexan-3-ol
SMILESCCC(O)CCCNC(C)c1ccc(C)s1
InChIInChI=1S/C13H23NOS/c1-4-12(15)6-5-9-14-11(3)13-8-7-10(2)16-13/h7-8,11-12,14-15H,4-6,9H2,1-3H3
InChIKeyLYAQFVSLAIHXQA-UHFFFAOYSA-N
MW241.40 g/mol
LogP3.26
Rot. Bonds7

About 6-[1-(5-methylthiophen-2-yl)ethylamino]hexan-3-ol

6-[1-(5-methylthiophen-2-yl)ethylamino]hexan-3-ol (PubChem CID 115891820) has the molecular formula C13H23NOS and a molecular weight of 241.40 g/mol. Its IUPAC name is 6-[1-(5-methylthiophen-2-yl)ethylamino]hexan-3-ol.

Molecular Properties

Compound Name6-[1-(5-methylthiophen-2-yl)ethylamino]hexan-3-ol
PubChem CID115891820
Molecular FormulaC13H23NOS
Molecular Weight241.40 g/mol
Exact Mass241.15
IUPAC Name6-[1-(5-methylthiophen-2-yl)ethylamino]hexan-3-ol
SMILESCCC(O)CCCNC(C)c1ccc(C)s1
InChIInChI=1S/C13H23NOS/c1-4-12(15)6-5-9-14-11(3)13-8-7-10(2)16-13/h7-8,11-12,14-15H,4-6,9H2,1-3H3
InChIKeyLYAQFVSLAIHXQA-UHFFFAOYSA-N
XLogP3.26
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.40
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[1-(5-methylthiophen-2-yl)ethyl]hexan-1-amine
CID 43109777
N-[1-(5-methylthiophen-2-yl)ethyl]nonan-1-amine
CID 63490848
N-[1-(5-methylthiophen-2-yl)ethyl]heptan-1-amine
CID 63455494
N-(2-fluoroethyl)-1-(5-methylthiophen-2-yl)ethanamine
CID 80694036
2-[[(1R)-1-(5-methylthiophen-2-yl)ethyl]amino]ethanol
CID 93025500
3-methylsulfanyl-N-[1-(5-methylthiophen-2-yl)ethyl]propan-1-amine
CID 61473463
N-ethyl-1-(5-methylthiophen-2-yl)ethanamine
CID 24705103
(2R)-1-[1-(5-methylthiophen-2-yl)ethylamino]propan-2-ol
CID 103906827
2-ethyl-N-[1-(5-methylthiophen-2-yl)ethyl]butan-1-amine
CID 61473499
3,3-dimethyl-N-[1-(5-methylthiophen-2-yl)ethyl]butan-1-amine
CID 61473830
1-(diethylamino)-3-[1-(5-methylthiophen-2-yl)ethylamino]propan-2-ol
CID 54952800
3-methylsulfinyl-N-[1-(5-methylthiophen-2-yl)ethyl]butan-1-amine
CID 84595589

Frequently Asked Questions

What is the IUPAC name of 6-[1-(5-methylthiophen-2-yl)ethylamino]hexan-3-ol?
The IUPAC name of 6-[1-(5-methylthiophen-2-yl)ethylamino]hexan-3-ol (CID 115891820) is 6-[1-(5-methylthiophen-2-yl)ethylamino]hexan-3-ol.
What is the SMILES notation for 6-[1-(5-methylthiophen-2-yl)ethylamino]hexan-3-ol?
The canonical SMILES for 6-[1-(5-methylthiophen-2-yl)ethylamino]hexan-3-ol is CCC(O)CCCNC(C)c1ccc(C)s1.
What is the InChIKey of 6-[1-(5-methylthiophen-2-yl)ethylamino]hexan-3-ol?
The InChIKey is LYAQFVSLAIHXQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NOS/c1-4-12(15)6-5-9-14-11(3)13-8-7-10(2)16-13/h7-8,11-12,14-15H,4-6,9H2,1-3H3.
What are the key properties of 6-[1-(5-methylthiophen-2-yl)ethylamino]hexan-3-ol?
6-[1-(5-methylthiophen-2-yl)ethylamino]hexan-3-ol has a molecular weight of 241.40 g/mol, XLogP of 3.26, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(5-methylthiophen-2-yl)ethylamino]hexan-3-ol is sourced from PubChem (CID 115891820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).