2-[[(3-methoxy-2-methylpropyl)amino]methyl]thiophen-3-amine

C10H18N2OS — CID 66387396

IUPAC2-[[(3-methoxy-2-methylpropyl)amino]methyl]thiophen-3-amine
SMILESCOCC(C)CNCc1sccc1N
InChIInChI=1S/C10H18N2OS/c1-8(7-13-2)5-12-6-10-9(11)3-4-14-10/h3-4,8,12H,5-7,11H2,1-2H3
InChIKeyHXRWAWYVJHZMSV-UHFFFAOYSA-N
MW214.33 g/mol
LogP1.70
Rot. Bonds6

About 2-[[(3-methoxy-2-methylpropyl)amino]methyl]thiophen-3-amine

2-[[(3-methoxy-2-methylpropyl)amino]methyl]thiophen-3-amine (PubChem CID 66387396) has the molecular formula C10H18N2OS and a molecular weight of 214.33 g/mol. Its IUPAC name is 2-[[(3-methoxy-2-methylpropyl)amino]methyl]thiophen-3-amine.

Molecular Properties

Compound Name2-[[(3-methoxy-2-methylpropyl)amino]methyl]thiophen-3-amine
PubChem CID66387396
Molecular FormulaC10H18N2OS
Molecular Weight214.33 g/mol
Exact Mass214.11
IUPAC Name2-[[(3-methoxy-2-methylpropyl)amino]methyl]thiophen-3-amine
SMILESCOCC(C)CNCc1sccc1N
InChIInChI=1S/C10H18N2OS/c1-8(7-13-2)5-12-6-10-9(11)3-4-14-10/h3-4,8,12H,5-7,11H2,1-2H3
InChIKeyHXRWAWYVJHZMSV-UHFFFAOYSA-N
XLogP1.70
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[(3-methoxy-2-methylpropyl)amino]methyl]thiophen-3-amine?
The IUPAC name of 2-[[(3-methoxy-2-methylpropyl)amino]methyl]thiophen-3-amine (CID 66387396) is 2-[[(3-methoxy-2-methylpropyl)amino]methyl]thiophen-3-amine.
What is the SMILES notation for 2-[[(3-methoxy-2-methylpropyl)amino]methyl]thiophen-3-amine?
The canonical SMILES for 2-[[(3-methoxy-2-methylpropyl)amino]methyl]thiophen-3-amine is COCC(C)CNCc1sccc1N.
What is the InChIKey of 2-[[(3-methoxy-2-methylpropyl)amino]methyl]thiophen-3-amine?
The InChIKey is HXRWAWYVJHZMSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2OS/c1-8(7-13-2)5-12-6-10-9(11)3-4-14-10/h3-4,8,12H,5-7,11H2,1-2H3.
What are the key properties of 2-[[(3-methoxy-2-methylpropyl)amino]methyl]thiophen-3-amine?
2-[[(3-methoxy-2-methylpropyl)amino]methyl]thiophen-3-amine has a molecular weight of 214.33 g/mol, XLogP of 1.70, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3-methoxy-2-methylpropyl)amino]methyl]thiophen-3-amine is sourced from PubChem (CID 66387396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).