3-[butyl(ethyl)amino]-1-thiophen-2-ylpropan-1-ol

C13H23NOS — CID 82074207

IUPAC3-[butyl(ethyl)amino]-1-thiophen-2-ylpropan-1-ol
SMILESCCCCN(CC)CCC(O)c1cccs1
InChIInChI=1S/C13H23NOS/c1-3-5-9-14(4-2)10-8-12(15)13-7-6-11-16-13/h6-7,11-12,15H,3-5,8-10H2,1-2H3
InChIKeyXLFGMEVFJSVZIJ-UHFFFAOYSA-N
MW241.40 g/mol
LogP3.29
Rot. Bonds8

About 3-[butyl(ethyl)amino]-1-thiophen-2-ylpropan-1-ol

3-[butyl(ethyl)amino]-1-thiophen-2-ylpropan-1-ol (PubChem CID 82074207) has the molecular formula C13H23NOS and a molecular weight of 241.40 g/mol. Its IUPAC name is 3-[butyl(ethyl)amino]-1-thiophen-2-ylpropan-1-ol.

Molecular Properties

Compound Name3-[butyl(ethyl)amino]-1-thiophen-2-ylpropan-1-ol
PubChem CID82074207
Molecular FormulaC13H23NOS
Molecular Weight241.40 g/mol
Exact Mass241.15
IUPAC Name3-[butyl(ethyl)amino]-1-thiophen-2-ylpropan-1-ol
SMILESCCCCN(CC)CCC(O)c1cccs1
InChIInChI=1S/C13H23NOS/c1-3-5-9-14(4-2)10-8-12(15)13-7-6-11-16-13/h6-7,11-12,15H,3-5,8-10H2,1-2H3
InChIKeyXLFGMEVFJSVZIJ-UHFFFAOYSA-N
XLogP3.29
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.40
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[ethyl(2-pyridin-4-ylethyl)amino]-1-thiophen-2-ylpropan-1-ol
CID 82074199
3-[butyl(ethyl)amino]-1-(5-propan-2-ylsulfanylthiophen-2-yl)propan-1-ol
CID 82074530
1-(2-aminophenyl)-3-[butyl(ethyl)amino]propan-1-ol
CID 82071642
N-(3-hydroxy-3-thiophen-2-ylpropyl)-N-methylbutanamide
CID 23069586
N-butyl-N-(2-chloro-2-thiophen-2-ylethyl)butan-1-amine
CID 82215055
N-[(3S)-3-hydroxy-3-thiophen-2-ylpropyl]-N-methylnitrous amide
CID 169444537
2-[4-(diethylamino)butylamino]-1-thiophen-2-ylpropan-1-ol
CID 82314459
1-(thionin-2-yl)nonane-1,4-diol
CID 175393813
N',N'-diethyl-N-methyl-1-thiophen-2-ylpropane-1,3-diamine
CID 79086941
3-[benzyl(methyl)amino]-1-thiophen-2-ylpropan-1-ol
CID 42867669
(1R)-3-[benzyl(methyl)amino]-1-thiophen-2-ylpropan-1-ol
CID 69048767
3-ethylsulfanyl-1-thiophen-2-ylpropan-1-ol
CID 116504809

Frequently Asked Questions

What is the IUPAC name of 3-[butyl(ethyl)amino]-1-thiophen-2-ylpropan-1-ol?
The IUPAC name of 3-[butyl(ethyl)amino]-1-thiophen-2-ylpropan-1-ol (CID 82074207) is 3-[butyl(ethyl)amino]-1-thiophen-2-ylpropan-1-ol.
What is the SMILES notation for 3-[butyl(ethyl)amino]-1-thiophen-2-ylpropan-1-ol?
The canonical SMILES for 3-[butyl(ethyl)amino]-1-thiophen-2-ylpropan-1-ol is CCCCN(CC)CCC(O)c1cccs1.
What is the InChIKey of 3-[butyl(ethyl)amino]-1-thiophen-2-ylpropan-1-ol?
The InChIKey is XLFGMEVFJSVZIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NOS/c1-3-5-9-14(4-2)10-8-12(15)13-7-6-11-16-13/h6-7,11-12,15H,3-5,8-10H2,1-2H3.
What are the key properties of 3-[butyl(ethyl)amino]-1-thiophen-2-ylpropan-1-ol?
3-[butyl(ethyl)amino]-1-thiophen-2-ylpropan-1-ol has a molecular weight of 241.40 g/mol, XLogP of 3.29, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[butyl(ethyl)amino]-1-thiophen-2-ylpropan-1-ol is sourced from PubChem (CID 82074207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).