2-(5-thiophen-2-ylpentan-2-ylamino)ethanol

C11H19NOS — CID 83980472

IUPAC2-(5-thiophen-2-ylpentan-2-ylamino)ethanol
SMILESCC(CCCc1cccs1)NCCO
InChIInChI=1S/C11H19NOS/c1-10(12-7-8-13)4-2-5-11-6-3-9-14-11/h3,6,9-10,12-13H,2,4-5,7-8H2,1H3
InChIKeyFIQUOKKGJLLWJX-UHFFFAOYSA-N
MW213.35 g/mol
LogP2.04
Rot. Bonds7

About 2-(5-thiophen-2-ylpentan-2-ylamino)ethanol

2-(5-thiophen-2-ylpentan-2-ylamino)ethanol (PubChem CID 83980472) has the molecular formula C11H19NOS and a molecular weight of 213.35 g/mol. Its IUPAC name is 2-(5-thiophen-2-ylpentan-2-ylamino)ethanol.

Molecular Properties

Compound Name2-(5-thiophen-2-ylpentan-2-ylamino)ethanol
PubChem CID83980472
Molecular FormulaC11H19NOS
Molecular Weight213.35 g/mol
Exact Mass213.12
IUPAC Name2-(5-thiophen-2-ylpentan-2-ylamino)ethanol
SMILESCC(CCCc1cccs1)NCCO
InChIInChI=1S/C11H19NOS/c1-10(12-7-8-13)4-2-5-11-6-3-9-14-11/h3,6,9-10,12-13H,2,4-5,7-8H2,1H3
InChIKeyFIQUOKKGJLLWJX-UHFFFAOYSA-N
XLogP2.04
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.35
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(6-thiophen-2-ylhexan-2-ylamino)ethanol
CID 83980461
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
1-N,1-N-dimethyl-3-N-(2-thiophen-2-ylethyl)butane-1,3-diamine
CID 63774544
1-chloro-N-(2-thiophen-2-ylethyl)propan-2-amine
CID 65025687
2-methyl-6-thiophen-2-ylhexan-3-ol
CID 63774630
2-methyl-N-propyl-6-thiophen-2-ylhexan-3-amine
CID 63775526
3-methyl-N-(3-thiophen-2-ylpropyl)butan-2-amine
CID 115897426
2-(5-thiophen-2-ylpentylamino)ethanol
CID 83980456
N-propan-2-yl-6-thiophen-2-ylhexan-1-amine
CID 65308474
(2S)-1-methoxy-N-(2-thiophen-2-ylethyl)propan-2-amine
CID 94472999

Frequently Asked Questions

What is the IUPAC name of 2-(5-thiophen-2-ylpentan-2-ylamino)ethanol?
The IUPAC name of 2-(5-thiophen-2-ylpentan-2-ylamino)ethanol (CID 83980472) is 2-(5-thiophen-2-ylpentan-2-ylamino)ethanol.
What is the SMILES notation for 2-(5-thiophen-2-ylpentan-2-ylamino)ethanol?
The canonical SMILES for 2-(5-thiophen-2-ylpentan-2-ylamino)ethanol is CC(CCCc1cccs1)NCCO.
What is the InChIKey of 2-(5-thiophen-2-ylpentan-2-ylamino)ethanol?
The InChIKey is FIQUOKKGJLLWJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NOS/c1-10(12-7-8-13)4-2-5-11-6-3-9-14-11/h3,6,9-10,12-13H,2,4-5,7-8H2,1H3.
What are the key properties of 2-(5-thiophen-2-ylpentan-2-ylamino)ethanol?
2-(5-thiophen-2-ylpentan-2-ylamino)ethanol has a molecular weight of 213.35 g/mol, XLogP of 2.04, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-thiophen-2-ylpentan-2-ylamino)ethanol is sourced from PubChem (CID 83980472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).