4-[ethyl(thiophen-2-ylmethyl)amino]butan-1-ol

C11H19NOS — CID 61437450

IUPAC4-[ethyl(thiophen-2-ylmethyl)amino]butan-1-ol
SMILESCCN(CCCCO)Cc1cccs1
InChIInChI=1S/C11H19NOS/c1-2-12(7-3-4-8-13)10-11-6-5-9-14-11/h5-6,9,13H,2-4,7-8,10H2,1H3
InChIKeyMJQACECRHXYNCQ-UHFFFAOYSA-N
MW213.35 g/mol
LogP2.34
Rot. Bonds7

About 4-[ethyl(thiophen-2-ylmethyl)amino]butan-1-ol

4-[ethyl(thiophen-2-ylmethyl)amino]butan-1-ol (PubChem CID 61437450) has the molecular formula C11H19NOS and a molecular weight of 213.35 g/mol. Its IUPAC name is 4-[ethyl(thiophen-2-ylmethyl)amino]butan-1-ol.

Molecular Properties

Compound Name4-[ethyl(thiophen-2-ylmethyl)amino]butan-1-ol
PubChem CID61437450
Molecular FormulaC11H19NOS
Molecular Weight213.35 g/mol
Exact Mass213.12
IUPAC Name4-[ethyl(thiophen-2-ylmethyl)amino]butan-1-ol
SMILESCCN(CCCCO)Cc1cccs1
InChIInChI=1S/C11H19NOS/c1-2-12(7-3-4-8-13)10-11-6-5-9-14-11/h5-6,9,13H,2-4,7-8,10H2,1H3
InChIKeyMJQACECRHXYNCQ-UHFFFAOYSA-N
XLogP2.34
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.35
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[ethyl(thiophen-2-ylmethyl)amino]butan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-hexyl-N-(thiophen-2-ylmethyl)hexan-1-amine
CID 6421755
5-[ethyl(thiophen-2-ylmethyl)amino]-2,2-dimethylpentanoic acid
CID 65254843
N,N'-diethyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 10512741
2-[pentyl(thiophen-2-ylmethyl)amino]acetic acid
CID 175704817
3-[ethyl(thiophen-2-ylmethyl)amino]-N'-hydroxypropanimidamide
CID 61436828
2-[ethyl(3-hydroxypropyl)amino]-N-(2-thiophen-2-ylethyl)acetamide
CID 115666347
N'-decyl-N,N-dimethyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 159085641
2-ethyl-2-[[ethyl(thiophen-2-ylmethyl)amino]methyl]butan-1-ol
CID 55055329
10-thiophen-2-yldecan-1-ol
CID 22992199
4-[ethyl(thiophen-2-ylmethyl)amino]-2,2-dimethylbutanethioamide
CID 65249134
3-thiophen-2-ylpropan-1-ol
CID 13109866
N'-ethyl-N-(3-methoxypropyl)-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 55089552

Frequently Asked Questions

What is the IUPAC name of 4-[ethyl(thiophen-2-ylmethyl)amino]butan-1-ol?
The IUPAC name of 4-[ethyl(thiophen-2-ylmethyl)amino]butan-1-ol (CID 61437450) is 4-[ethyl(thiophen-2-ylmethyl)amino]butan-1-ol.
What is the SMILES notation for 4-[ethyl(thiophen-2-ylmethyl)amino]butan-1-ol?
The canonical SMILES for 4-[ethyl(thiophen-2-ylmethyl)amino]butan-1-ol is CCN(CCCCO)Cc1cccs1.
What is the InChIKey of 4-[ethyl(thiophen-2-ylmethyl)amino]butan-1-ol?
The InChIKey is MJQACECRHXYNCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NOS/c1-2-12(7-3-4-8-13)10-11-6-5-9-14-11/h5-6,9,13H,2-4,7-8,10H2,1H3.
What are the key properties of 4-[ethyl(thiophen-2-ylmethyl)amino]butan-1-ol?
4-[ethyl(thiophen-2-ylmethyl)amino]butan-1-ol has a molecular weight of 213.35 g/mol, XLogP of 2.34, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl(thiophen-2-ylmethyl)amino]butan-1-ol is sourced from PubChem (CID 61437450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).