2-(hex-5-en-2-ylamino)-2-(3-methylthiophen-2-yl)ethanol

C13H21NOS — CID 104583335

IUPAC2-(hex-5-en-2-ylamino)-2-(3-methylthiophen-2-yl)ethanol
SMILESC=CCCC(C)NC(CO)c1sccc1C
InChIInChI=1S/C13H21NOS/c1-4-5-6-11(3)14-12(9-15)13-10(2)7-8-16-13/h4,7-8,11-12,14-15H,1,5-6,9H2,2-3H3
InChIKeySFYGLAJHUWTVJV-UHFFFAOYSA-N
MW239.38 g/mol
LogP3.03
Rot. Bonds7

About 2-(hex-5-en-2-ylamino)-2-(3-methylthiophen-2-yl)ethanol

2-(hex-5-en-2-ylamino)-2-(3-methylthiophen-2-yl)ethanol (PubChem CID 104583335) has the molecular formula C13H21NOS and a molecular weight of 239.38 g/mol. Its IUPAC name is 2-(hex-5-en-2-ylamino)-2-(3-methylthiophen-2-yl)ethanol.

Molecular Properties

Compound Name2-(hex-5-en-2-ylamino)-2-(3-methylthiophen-2-yl)ethanol
PubChem CID104583335
Molecular FormulaC13H21NOS
Molecular Weight239.38 g/mol
Exact Mass239.13
IUPAC Name2-(hex-5-en-2-ylamino)-2-(3-methylthiophen-2-yl)ethanol
SMILESC=CCCC(C)NC(CO)c1sccc1C
InChIInChI=1S/C13H21NOS/c1-4-5-6-11(3)14-12(9-15)13-10(2)7-8-16-13/h4,7-8,11-12,14-15H,1,5-6,9H2,2-3H3
InChIKeySFYGLAJHUWTVJV-UHFFFAOYSA-N
XLogP3.03
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.38
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-(hydroxyamino)-2-(3-methylthiophen-2-yl)ethanol
CID 130738998
N-[2-hydroxy-1-(3-methylthiophen-2-yl)ethyl]acetamide
CID 116860798
3-methyl-2-(3-methylthiophen-2-yl)butan-1-ol
CID 116964294
N-[1-(5-methyl-1,3-thiazol-2-yl)propyl]hex-5-en-2-amine
CID 104578195
N-[1-(3-chlorophenyl)propyl]hex-5-en-2-amine
CID 113437828
(2S)-2-(hex-5-en-2-ylamino)-3-phenylpropan-1-ol
CID 102613780
N-[(3-bromothiophen-2-yl)methyl]hex-5-en-2-amine
CID 104583115
N-[1-(4-methoxyphenyl)propyl]hex-5-en-2-amine
CID 112551779
2-(cyclopentylmethylamino)-2-(3-methylthiophen-2-yl)ethanol
CID 115907951
1-(3-bromothiophen-2-yl)-N-methylpent-4-en-1-amine
CID 104987232
4-(hex-5-en-2-ylamino)pentan-1-ol
CID 104582956
N-[1-(3-methylthiophen-2-yl)ethyl]butan-2-amine
CID 63992990

Frequently Asked Questions

What is the IUPAC name of 2-(hex-5-en-2-ylamino)-2-(3-methylthiophen-2-yl)ethanol?
The IUPAC name of 2-(hex-5-en-2-ylamino)-2-(3-methylthiophen-2-yl)ethanol (CID 104583335) is 2-(hex-5-en-2-ylamino)-2-(3-methylthiophen-2-yl)ethanol.
What is the SMILES notation for 2-(hex-5-en-2-ylamino)-2-(3-methylthiophen-2-yl)ethanol?
The canonical SMILES for 2-(hex-5-en-2-ylamino)-2-(3-methylthiophen-2-yl)ethanol is C=CCCC(C)NC(CO)c1sccc1C.
What is the InChIKey of 2-(hex-5-en-2-ylamino)-2-(3-methylthiophen-2-yl)ethanol?
The InChIKey is SFYGLAJHUWTVJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NOS/c1-4-5-6-11(3)14-12(9-15)13-10(2)7-8-16-13/h4,7-8,11-12,14-15H,1,5-6,9H2,2-3H3.
What are the key properties of 2-(hex-5-en-2-ylamino)-2-(3-methylthiophen-2-yl)ethanol?
2-(hex-5-en-2-ylamino)-2-(3-methylthiophen-2-yl)ethanol has a molecular weight of 239.38 g/mol, XLogP of 3.03, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hex-5-en-2-ylamino)-2-(3-methylthiophen-2-yl)ethanol is sourced from PubChem (CID 104583335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).