2-[(3-methylbut-2-enylamino)methyl]thiophen-3-amine

C10H16N2S — CID 106181412

IUPAC2-[(3-methylbut-2-enylamino)methyl]thiophen-3-amine
SMILESCC(C)=CCNCc1sccc1N
InChIInChI=1S/C10H16N2S/c1-8(2)3-5-12-7-10-9(11)4-6-13-10/h3-4,6,12H,5,7,11H2,1-2H3
InChIKeyKMYGDXHEKMMAIQ-UHFFFAOYSA-N
MW196.32 g/mol
LogP2.39
Rot. Bonds4

About 2-[(3-methylbut-2-enylamino)methyl]thiophen-3-amine

2-[(3-methylbut-2-enylamino)methyl]thiophen-3-amine (PubChem CID 106181412) has the molecular formula C10H16N2S and a molecular weight of 196.32 g/mol. Its IUPAC name is 2-[(3-methylbut-2-enylamino)methyl]thiophen-3-amine.

Molecular Properties

Compound Name2-[(3-methylbut-2-enylamino)methyl]thiophen-3-amine
PubChem CID106181412
Molecular FormulaC10H16N2S
Molecular Weight196.32 g/mol
Exact Mass196.10
IUPAC Name2-[(3-methylbut-2-enylamino)methyl]thiophen-3-amine
SMILESCC(C)=CCNCc1sccc1N
InChIInChI=1S/C10H16N2S/c1-8(2)3-5-12-7-10-9(11)4-6-13-10/h3-4,6,12H,5,7,11H2,1-2H3
InChIKeyKMYGDXHEKMMAIQ-UHFFFAOYSA-N
XLogP2.39
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.32
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[(3-aminothiophen-2-yl)methylamino]-3,3-dimethylbutan-1-ol
CID 106143896
1-N-[(3-aminothiophen-2-yl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine
CID 66384977
2-[[(5-methylthiophen-2-yl)methylamino]methyl]thiophen-3-amine
CID 66385189
2-[[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]methyl]thiophen-3-amine
CID 106370731
4-[(3-aminothiophen-2-yl)methylamino]butanoic acid
CID 66387769
3-[(3-aminothiophen-2-yl)methylamino]propanenitrile
CID 66385922
2-[[(4-fluorophenyl)methylamino]methyl]thiophen-3-amine
CID 66387899
2-[(3-aminothiophen-2-yl)methylamino]-1-phenylethanol
CID 66386526
2-[(3-aminothiophen-2-yl)methylamino]-1-cyclopropylethanol
CID 66387405
2-[[(2-ethoxy-2-methylpropyl)amino]methyl]thiophen-3-amine
CID 114941526
2-[(2-phenylethylamino)methyl]thiophen-3-amine
CID 66386306
2-[(3-methylbutan-2-ylamino)methyl]thiophen-3-amine
CID 66386521

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methylbut-2-enylamino)methyl]thiophen-3-amine?
The IUPAC name of 2-[(3-methylbut-2-enylamino)methyl]thiophen-3-amine (CID 106181412) is 2-[(3-methylbut-2-enylamino)methyl]thiophen-3-amine.
What is the SMILES notation for 2-[(3-methylbut-2-enylamino)methyl]thiophen-3-amine?
The canonical SMILES for 2-[(3-methylbut-2-enylamino)methyl]thiophen-3-amine is CC(C)=CCNCc1sccc1N.
What is the InChIKey of 2-[(3-methylbut-2-enylamino)methyl]thiophen-3-amine?
The InChIKey is KMYGDXHEKMMAIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2S/c1-8(2)3-5-12-7-10-9(11)4-6-13-10/h3-4,6,12H,5,7,11H2,1-2H3.
What are the key properties of 2-[(3-methylbut-2-enylamino)methyl]thiophen-3-amine?
2-[(3-methylbut-2-enylamino)methyl]thiophen-3-amine has a molecular weight of 196.32 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methylbut-2-enylamino)methyl]thiophen-3-amine is sourced from PubChem (CID 106181412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).