2-methyl-5-(1-thiophen-2-ylethylamino)pentan-1-ol

C12H21NOS — CID 103905543

IUPAC2-methyl-5-(1-thiophen-2-ylethylamino)pentan-1-ol
SMILESCC(CO)CCCNC(C)c1cccs1
InChIInChI=1S/C12H21NOS/c1-10(9-14)5-3-7-13-11(2)12-6-4-8-15-12/h4,6,8,10-11,13-14H,3,5,7,9H2,1-2H3
InChIKeyYCWFJPLGYLDCBW-UHFFFAOYSA-N
MW227.37 g/mol
LogP2.81
Rot. Bonds7

About 2-methyl-5-(1-thiophen-2-ylethylamino)pentan-1-ol

2-methyl-5-(1-thiophen-2-ylethylamino)pentan-1-ol (PubChem CID 103905543) has the molecular formula C12H21NOS and a molecular weight of 227.37 g/mol. Its IUPAC name is 2-methyl-5-(1-thiophen-2-ylethylamino)pentan-1-ol.

Molecular Properties

Compound Name2-methyl-5-(1-thiophen-2-ylethylamino)pentan-1-ol
PubChem CID103905543
Molecular FormulaC12H21NOS
Molecular Weight227.37 g/mol
Exact Mass227.13
IUPAC Name2-methyl-5-(1-thiophen-2-ylethylamino)pentan-1-ol
SMILESCC(CO)CCCNC(C)c1cccs1
InChIInChI=1S/C12H21NOS/c1-10(9-14)5-3-7-13-11(2)12-6-4-8-15-12/h4,6,8,10-11,13-14H,3,5,7,9H2,1-2H3
InChIKeyYCWFJPLGYLDCBW-UHFFFAOYSA-N
XLogP2.81
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 ≤ 52.81
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

4-methyl-N-[(1S)-1-thiophen-2-ylethyl]pentan-1-amine
CID 83156028
5-[[(1S)-1-thiophen-2-ylethyl]amino]pentan-1-ol
CID 81408361
2-(1-thiophen-2-ylethylamino)ethanol
CID 43151185
3-fluoro-N-[(1R)-1-thiophen-2-ylethyl]propan-1-amine
CID 81408503
N-[(1R)-1-thiophen-2-ylethyl]heptan-1-amine
CID 81398404
2-amino-N-(5-hydroxy-4-methylpentyl)-2-thiophen-2-ylacetamide
CID 106161199
2-[1-[(5-hydroxy-4-methylpentyl)amino]ethyl]benzene-1,3-diol
CID 106158212
4-[[(1R)-1-thiophen-2-ylethyl]amino]butanenitrile
CID 81407892
methyl 4-(1-thiophen-2-ylethylamino)butanoate
CID 43534511
3-(1-thiophen-2-ylethylamino)propane-1,2-diol
CID 60908559
5-[1-(2,6-difluorophenyl)ethylamino]-2-methylpentan-1-ol
CID 103905568
5,5,5-trifluoro-N-(1-thiophen-2-ylethyl)pentan-1-amine
CID 115516778

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(1-thiophen-2-ylethylamino)pentan-1-ol?
The IUPAC name of 2-methyl-5-(1-thiophen-2-ylethylamino)pentan-1-ol (CID 103905543) is 2-methyl-5-(1-thiophen-2-ylethylamino)pentan-1-ol.
What is the SMILES notation for 2-methyl-5-(1-thiophen-2-ylethylamino)pentan-1-ol?
The canonical SMILES for 2-methyl-5-(1-thiophen-2-ylethylamino)pentan-1-ol is CC(CO)CCCNC(C)c1cccs1.
What is the InChIKey of 2-methyl-5-(1-thiophen-2-ylethylamino)pentan-1-ol?
The InChIKey is YCWFJPLGYLDCBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NOS/c1-10(9-14)5-3-7-13-11(2)12-6-4-8-15-12/h4,6,8,10-11,13-14H,3,5,7,9H2,1-2H3.
What are the key properties of 2-methyl-5-(1-thiophen-2-ylethylamino)pentan-1-ol?
2-methyl-5-(1-thiophen-2-ylethylamino)pentan-1-ol has a molecular weight of 227.37 g/mol, XLogP of 2.81, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(1-thiophen-2-ylethylamino)pentan-1-ol is sourced from PubChem (CID 103905543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).