2-[[(2-methylpropan-2-yl)oxyamino]methyl]thiophen-3-amine

C9H16N2OS — CID 82719901

IUPAC2-[[(2-methylpropan-2-yl)oxyamino]methyl]thiophen-3-amine
SMILESCC(C)(C)ONCc1sccc1N
InChIInChI=1S/C9H16N2OS/c1-9(2,3)12-11-6-8-7(10)4-5-13-8/h4-5,11H,6,10H2,1-3H3
InChIKeyZJXWIHOCZLRMOW-UHFFFAOYSA-N
MW200.31 g/mol
LogP2.15
Rot. Bonds3

About 2-[[(2-methylpropan-2-yl)oxyamino]methyl]thiophen-3-amine

2-[[(2-methylpropan-2-yl)oxyamino]methyl]thiophen-3-amine (PubChem CID 82719901) has the molecular formula C9H16N2OS and a molecular weight of 200.31 g/mol. Its IUPAC name is 2-[[(2-methylpropan-2-yl)oxyamino]methyl]thiophen-3-amine.

Molecular Properties

Compound Name2-[[(2-methylpropan-2-yl)oxyamino]methyl]thiophen-3-amine
PubChem CID82719901
Molecular FormulaC9H16N2OS
Molecular Weight200.31 g/mol
Exact Mass200.10
IUPAC Name2-[[(2-methylpropan-2-yl)oxyamino]methyl]thiophen-3-amine
SMILESCC(C)(C)ONCc1sccc1N
InChIInChI=1S/C9H16N2OS/c1-9(2,3)12-11-6-8-7(10)4-5-13-8/h4-5,11H,6,10H2,1-3H3
InChIKeyZJXWIHOCZLRMOW-UHFFFAOYSA-N
XLogP2.15
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.31
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(2,2,2-Trifluoroethoxyamino)methyl]thiophen-3-amine
CID 82711604
N-[(2-methylpropan-2-yl)oxy]-1-thiophen-2-ylethenamine
CID 56607379
2-(Aminomethyl)thiophen-3-amine
CID 66385285
2-[(Tert-butylamino)methyl]thiophen-3-amine
CID 66385692
2-[(2,2-Dimethylpropylamino)methyl]thiophen-3-amine
CID 66385986
1-[(3-Aminothiophen-2-yl)methylamino]-2-methylpropan-2-ol
CID 66386015
1-[(3-Aminothiophen-2-yl)methylamino]-2-methylbutan-2-ol
CID 66386017
2-[(Pentylamino)methyl]thiophen-3-amine
CID 66386096
3-[[(3-Aminothiophen-2-yl)methylamino]methyl]pentan-3-ol
CID 66386215
2-(Butylaminomethyl)thiophen-3-amine
CID 66387092
2-[(3-Methoxypropylamino)methyl]thiophen-3-amine
CID 66387115
2-[[(3-Methoxy-2-methylpropyl)amino]methyl]thiophen-3-amine
CID 66387396

Frequently Asked Questions

What is the IUPAC name of 2-[[(2-methylpropan-2-yl)oxyamino]methyl]thiophen-3-amine?
The IUPAC name of 2-[[(2-methylpropan-2-yl)oxyamino]methyl]thiophen-3-amine (CID 82719901) is 2-[[(2-methylpropan-2-yl)oxyamino]methyl]thiophen-3-amine.
What is the SMILES notation for 2-[[(2-methylpropan-2-yl)oxyamino]methyl]thiophen-3-amine?
The canonical SMILES for 2-[[(2-methylpropan-2-yl)oxyamino]methyl]thiophen-3-amine is CC(C)(C)ONCc1sccc1N.
What is the InChIKey of 2-[[(2-methylpropan-2-yl)oxyamino]methyl]thiophen-3-amine?
The InChIKey is ZJXWIHOCZLRMOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2OS/c1-9(2,3)12-11-6-8-7(10)4-5-13-8/h4-5,11H,6,10H2,1-3H3.
What are the key properties of 2-[[(2-methylpropan-2-yl)oxyamino]methyl]thiophen-3-amine?
2-[[(2-methylpropan-2-yl)oxyamino]methyl]thiophen-3-amine has a molecular weight of 200.31 g/mol, XLogP of 2.15, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2-methylpropan-2-yl)oxyamino]methyl]thiophen-3-amine is sourced from PubChem (CID 82719901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).