4-methyl-1-(2-thiophen-3-ylethylamino)pentan-2-ol

C12H21NOS — CID 107152319

IUPAC4-methyl-1-(2-thiophen-3-ylethylamino)pentan-2-ol
SMILESCC(C)CC(O)CNCCc1ccsc1
InChIInChI=1S/C12H21NOS/c1-10(2)7-12(14)8-13-5-3-11-4-6-15-9-11/h4,6,9-10,12-14H,3,5,7-8H2,1-2H3
InChIKeyIBYSVGZFEQLIHX-UHFFFAOYSA-N
MW227.37 g/mol
LogP2.29
Rot. Bonds7

About 4-methyl-1-(2-thiophen-3-ylethylamino)pentan-2-ol

4-methyl-1-(2-thiophen-3-ylethylamino)pentan-2-ol (PubChem CID 107152319) has the molecular formula C12H21NOS and a molecular weight of 227.37 g/mol. Its IUPAC name is 4-methyl-1-(2-thiophen-3-ylethylamino)pentan-2-ol.

Molecular Properties

Compound Name4-methyl-1-(2-thiophen-3-ylethylamino)pentan-2-ol
PubChem CID107152319
Molecular FormulaC12H21NOS
Molecular Weight227.37 g/mol
Exact Mass227.13
IUPAC Name4-methyl-1-(2-thiophen-3-ylethylamino)pentan-2-ol
SMILESCC(C)CC(O)CNCCc1ccsc1
InChIInChI=1S/C12H21NOS/c1-10(2)7-12(14)8-13-5-3-11-4-6-15-9-11/h4,6,9-10,12-14H,3,5,7-8H2,1-2H3
InChIKeyIBYSVGZFEQLIHX-UHFFFAOYSA-N
XLogP2.29
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.37
LogP ≤ 52.29
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

(2S)-3-(2-thiophen-3-ylethylamino)propane-1,2-diol
CID 61474151
2-methyl-N-(2-thiophen-3-ylethyl)butan-1-amine
CID 61474890
1-(2,4-dimethylphenoxy)-3-(2-thiophen-3-ylethylamino)propan-2-ol
CID 61473977
1-phenylmethoxy-3-(2-thiophen-3-ylethylamino)propan-2-ol
CID 61473661
1-[2-(thiophen-3-ylmethylamino)ethylamino]propan-2-ol
CID 4723865
benzyl 2-methyl-3-(2-thiophen-3-ylethylamino)propanoate
CID 106483976
2,6-dimethyl-N-(thiophen-3-ylmethyl)heptan-4-amine
CID 63248200
N-(2-thiophen-3-ylethyl)butan-1-amine
CID 60751767
N-[2-(4-methylpentoxy)ethyl]-2-thiophen-3-ylethanamine
CID 62598298
N-[2-(3-methylbutan-2-ylsulfanyl)ethyl]-2-thiophen-3-ylethanamine
CID 107757303
(2S)-3-methyl-2-(2-thiophen-3-ylethylamino)butan-1-ol
CID 79249026
5-methyl-1-thiophen-3-ylheptan-3-ol
CID 115798340

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(2-thiophen-3-ylethylamino)pentan-2-ol?
The IUPAC name of 4-methyl-1-(2-thiophen-3-ylethylamino)pentan-2-ol (CID 107152319) is 4-methyl-1-(2-thiophen-3-ylethylamino)pentan-2-ol.
What is the SMILES notation for 4-methyl-1-(2-thiophen-3-ylethylamino)pentan-2-ol?
The canonical SMILES for 4-methyl-1-(2-thiophen-3-ylethylamino)pentan-2-ol is CC(C)CC(O)CNCCc1ccsc1.
What is the InChIKey of 4-methyl-1-(2-thiophen-3-ylethylamino)pentan-2-ol?
The InChIKey is IBYSVGZFEQLIHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NOS/c1-10(2)7-12(14)8-13-5-3-11-4-6-15-9-11/h4,6,9-10,12-14H,3,5,7-8H2,1-2H3.
What are the key properties of 4-methyl-1-(2-thiophen-3-ylethylamino)pentan-2-ol?
4-methyl-1-(2-thiophen-3-ylethylamino)pentan-2-ol has a molecular weight of 227.37 g/mol, XLogP of 2.29, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(2-thiophen-3-ylethylamino)pentan-2-ol is sourced from PubChem (CID 107152319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).