2-[(2-methylpropoxyamino)methyl]thiophen-3-amine

C9H16N2OS — CID 82712593

IUPAC2-[(2-methylpropoxyamino)methyl]thiophen-3-amine
SMILESCC(C)CONCc1sccc1N
InChIInChI=1S/C9H16N2OS/c1-7(2)6-12-11-5-9-8(10)3-4-13-9/h3-4,7,11H,5-6,10H2,1-2H3
InChIKeyRQOUTADFELWMQK-UHFFFAOYSA-N
MW200.31 g/mol
LogP2.01
Rot. Bonds5

About 2-[(2-methylpropoxyamino)methyl]thiophen-3-amine

2-[(2-methylpropoxyamino)methyl]thiophen-3-amine (PubChem CID 82712593) has the molecular formula C9H16N2OS and a molecular weight of 200.31 g/mol. Its IUPAC name is 2-[(2-methylpropoxyamino)methyl]thiophen-3-amine.

Molecular Properties

Compound Name2-[(2-methylpropoxyamino)methyl]thiophen-3-amine
PubChem CID82712593
Molecular FormulaC9H16N2OS
Molecular Weight200.31 g/mol
Exact Mass200.10
IUPAC Name2-[(2-methylpropoxyamino)methyl]thiophen-3-amine
SMILESCC(C)CONCc1sccc1N
InChIInChI=1S/C9H16N2OS/c1-7(2)6-12-11-5-9-8(10)3-4-13-9/h3-4,7,11H,5-6,10H2,1-2H3
InChIKeyRQOUTADFELWMQK-UHFFFAOYSA-N
XLogP2.01
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.31
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylpropoxyamino)methyl]thiophen-3-amine?
The IUPAC name of 2-[(2-methylpropoxyamino)methyl]thiophen-3-amine (CID 82712593) is 2-[(2-methylpropoxyamino)methyl]thiophen-3-amine.
What is the SMILES notation for 2-[(2-methylpropoxyamino)methyl]thiophen-3-amine?
The canonical SMILES for 2-[(2-methylpropoxyamino)methyl]thiophen-3-amine is CC(C)CONCc1sccc1N.
What is the InChIKey of 2-[(2-methylpropoxyamino)methyl]thiophen-3-amine?
The InChIKey is RQOUTADFELWMQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2OS/c1-7(2)6-12-11-5-9-8(10)3-4-13-9/h3-4,7,11H,5-6,10H2,1-2H3.
What are the key properties of 2-[(2-methylpropoxyamino)methyl]thiophen-3-amine?
2-[(2-methylpropoxyamino)methyl]thiophen-3-amine has a molecular weight of 200.31 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylpropoxyamino)methyl]thiophen-3-amine is sourced from PubChem (CID 82712593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).