2-(aminomethyl)-1-(3-ethylthiophen-2-yl)pentan-1-ol

C12H21NOS — CID 79975322

IUPAC2-(aminomethyl)-1-(3-ethylthiophen-2-yl)pentan-1-ol
SMILESCCCC(CN)C(O)c1sccc1CC
InChIInChI=1S/C12H21NOS/c1-3-5-10(8-13)11(14)12-9(4-2)6-7-15-12/h6-7,10-11,14H,3-5,8,13H2,1-2H3
InChIKeyHCFZMHMEBCDMNN-UHFFFAOYSA-N
MW227.37 g/mol
LogP2.72
Rot. Bonds6

About 2-(aminomethyl)-1-(3-ethylthiophen-2-yl)pentan-1-ol

2-(aminomethyl)-1-(3-ethylthiophen-2-yl)pentan-1-ol (PubChem CID 79975322) has the molecular formula C12H21NOS and a molecular weight of 227.37 g/mol. Its IUPAC name is 2-(aminomethyl)-1-(3-ethylthiophen-2-yl)pentan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-1-(3-ethylthiophen-2-yl)pentan-1-ol
PubChem CID79975322
Molecular FormulaC12H21NOS
Molecular Weight227.37 g/mol
Exact Mass227.13
IUPAC Name2-(aminomethyl)-1-(3-ethylthiophen-2-yl)pentan-1-ol
SMILESCCCC(CN)C(O)c1sccc1CC
InChIInChI=1S/C12H21NOS/c1-3-5-10(8-13)11(14)12-9(4-2)6-7-15-12/h6-7,10-11,14H,3-5,8,13H2,1-2H3
InChIKeyHCFZMHMEBCDMNN-UHFFFAOYSA-N
XLogP2.72
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.37
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-1-(3-ethylthiophen-2-yl)pentan-1-ol?
The IUPAC name of 2-(aminomethyl)-1-(3-ethylthiophen-2-yl)pentan-1-ol (CID 79975322) is 2-(aminomethyl)-1-(3-ethylthiophen-2-yl)pentan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-1-(3-ethylthiophen-2-yl)pentan-1-ol?
The canonical SMILES for 2-(aminomethyl)-1-(3-ethylthiophen-2-yl)pentan-1-ol is CCCC(CN)C(O)c1sccc1CC.
What is the InChIKey of 2-(aminomethyl)-1-(3-ethylthiophen-2-yl)pentan-1-ol?
The InChIKey is HCFZMHMEBCDMNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NOS/c1-3-5-10(8-13)11(14)12-9(4-2)6-7-15-12/h6-7,10-11,14H,3-5,8,13H2,1-2H3.
What are the key properties of 2-(aminomethyl)-1-(3-ethylthiophen-2-yl)pentan-1-ol?
2-(aminomethyl)-1-(3-ethylthiophen-2-yl)pentan-1-ol has a molecular weight of 227.37 g/mol, XLogP of 2.72, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-1-(3-ethylthiophen-2-yl)pentan-1-ol is sourced from PubChem (CID 79975322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).