2-(6-thiophen-2-ylhexan-2-ylamino)ethanol

C12H21NOS — CID 83980461

IUPAC2-(6-thiophen-2-ylhexan-2-ylamino)ethanol
SMILESCC(CCCCc1cccs1)NCCO
InChIInChI=1S/C12H21NOS/c1-11(13-8-9-14)5-2-3-6-12-7-4-10-15-12/h4,7,10-11,13-14H,2-3,5-6,8-9H2,1H3
InChIKeyFMSQUMAOYUUVPO-UHFFFAOYSA-N
MW227.37 g/mol
LogP2.43
Rot. Bonds8

About 2-(6-thiophen-2-ylhexan-2-ylamino)ethanol

2-(6-thiophen-2-ylhexan-2-ylamino)ethanol (PubChem CID 83980461) has the molecular formula C12H21NOS and a molecular weight of 227.37 g/mol. Its IUPAC name is 2-(6-thiophen-2-ylhexan-2-ylamino)ethanol.

Molecular Properties

Compound Name2-(6-thiophen-2-ylhexan-2-ylamino)ethanol
PubChem CID83980461
Molecular FormulaC12H21NOS
Molecular Weight227.37 g/mol
Exact Mass227.13
IUPAC Name2-(6-thiophen-2-ylhexan-2-ylamino)ethanol
SMILESCC(CCCCc1cccs1)NCCO
InChIInChI=1S/C12H21NOS/c1-11(13-8-9-14)5-2-3-6-12-7-4-10-15-12/h4,7,10-11,13-14H,2-3,5-6,8-9H2,1H3
InChIKeyFMSQUMAOYUUVPO-UHFFFAOYSA-N
XLogP2.43
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.37
LogP ≤ 52.43
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

2-(5-thiophen-2-ylpentan-2-ylamino)ethanol
CID 83980472
N-(3-thiophen-2-ylpropyl)hexan-2-amine
CID 115897415
N-(3-thiophen-2-ylpropyl)hex-5-en-2-amine
CID 104583720
3-thiophen-2-ylpropan-1-ol
CID 13109866
2-(5-thiophen-2-ylpentylamino)ethanol
CID 83980456
N-propan-2-yl-6-thiophen-2-ylhexan-1-amine
CID 65308474
1-N,1-N-dimethyl-3-N-(2-thiophen-2-ylethyl)butane-1,3-diamine
CID 63774544
10-thiophen-2-yldecan-1-ol
CID 22992199
1-N,1-N-diethyl-2-N-(4-thiophen-2-ylbutyl)propane-1,2-diamine
CID 113408512
1-chloro-N-(2-thiophen-2-ylethyl)propan-2-amine
CID 65025687
8-thiophen-2-yloctan-4-ol
CID 64516293
3-methyl-N-(3-thiophen-2-ylpropyl)butan-2-amine
CID 115897426

Frequently Asked Questions

What is the IUPAC name of 2-(6-thiophen-2-ylhexan-2-ylamino)ethanol?
The IUPAC name of 2-(6-thiophen-2-ylhexan-2-ylamino)ethanol (CID 83980461) is 2-(6-thiophen-2-ylhexan-2-ylamino)ethanol.
What is the SMILES notation for 2-(6-thiophen-2-ylhexan-2-ylamino)ethanol?
The canonical SMILES for 2-(6-thiophen-2-ylhexan-2-ylamino)ethanol is CC(CCCCc1cccs1)NCCO.
What is the InChIKey of 2-(6-thiophen-2-ylhexan-2-ylamino)ethanol?
The InChIKey is FMSQUMAOYUUVPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NOS/c1-11(13-8-9-14)5-2-3-6-12-7-4-10-15-12/h4,7,10-11,13-14H,2-3,5-6,8-9H2,1H3.
What are the key properties of 2-(6-thiophen-2-ylhexan-2-ylamino)ethanol?
2-(6-thiophen-2-ylhexan-2-ylamino)ethanol has a molecular weight of 227.37 g/mol, XLogP of 2.43, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-thiophen-2-ylhexan-2-ylamino)ethanol is sourced from PubChem (CID 83980461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).