2-[[2-(oxolan-2-yl)ethylamino]methyl]thiophen-3-amine

C11H18N2OS — CID 66385382

IUPAC2-[[2-(oxolan-2-yl)ethylamino]methyl]thiophen-3-amine
SMILESNc1ccsc1CNCCC1CCCO1
InChIInChI=1S/C11H18N2OS/c12-10-4-7-15-11(10)8-13-5-3-9-2-1-6-14-9/h4,7,9,13H,1-3,5-6,8,12H2
InChIKeyALRFQFHWIPHPGR-UHFFFAOYSA-N
MW226.34 g/mol
LogP1.99
Rot. Bonds5

About 2-[[2-(oxolan-2-yl)ethylamino]methyl]thiophen-3-amine

2-[[2-(oxolan-2-yl)ethylamino]methyl]thiophen-3-amine (PubChem CID 66385382) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is 2-[[2-(oxolan-2-yl)ethylamino]methyl]thiophen-3-amine.

Molecular Properties

Compound Name2-[[2-(oxolan-2-yl)ethylamino]methyl]thiophen-3-amine
PubChem CID66385382
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC Name2-[[2-(oxolan-2-yl)ethylamino]methyl]thiophen-3-amine
SMILESNc1ccsc1CNCCC1CCCO1
InChIInChI=1S/C11H18N2OS/c12-10-4-7-15-11(10)8-13-5-3-9-2-1-6-14-9/h4,7,9,13H,1-3,5-6,8,12H2
InChIKeyALRFQFHWIPHPGR-UHFFFAOYSA-N
XLogP1.99
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(oxolan-2-yl)ethylamino]methyl]thiophen-3-amine?
The IUPAC name of 2-[[2-(oxolan-2-yl)ethylamino]methyl]thiophen-3-amine (CID 66385382) is 2-[[2-(oxolan-2-yl)ethylamino]methyl]thiophen-3-amine.
What is the SMILES notation for 2-[[2-(oxolan-2-yl)ethylamino]methyl]thiophen-3-amine?
The canonical SMILES for 2-[[2-(oxolan-2-yl)ethylamino]methyl]thiophen-3-amine is Nc1ccsc1CNCCC1CCCO1.
What is the InChIKey of 2-[[2-(oxolan-2-yl)ethylamino]methyl]thiophen-3-amine?
The InChIKey is ALRFQFHWIPHPGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS/c12-10-4-7-15-11(10)8-13-5-3-9-2-1-6-14-9/h4,7,9,13H,1-3,5-6,8,12H2.
What are the key properties of 2-[[2-(oxolan-2-yl)ethylamino]methyl]thiophen-3-amine?
2-[[2-(oxolan-2-yl)ethylamino]methyl]thiophen-3-amine has a molecular weight of 226.34 g/mol, XLogP of 1.99, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(oxolan-2-yl)ethylamino]methyl]thiophen-3-amine is sourced from PubChem (CID 66385382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).