2-[(5,5,5-trifluoropentylamino)methyl]thiophen-3-amine

C10H15F3N2S — CID 115517498

IUPAC2-[(5,5,5-trifluoropentylamino)methyl]thiophen-3-amine
SMILESNc1ccsc1CNCCCCC(F)(F)F
InChIInChI=1S/C10H15F3N2S/c11-10(12,13)4-1-2-5-15-7-9-8(14)3-6-16-9/h3,6,15H,1-2,4-5,7,14H2
InChIKeyRJTWZINTTMYQDO-UHFFFAOYSA-N
MW252.30 g/mol
LogP3.15
Rot. Bonds6

About 2-[(5,5,5-trifluoropentylamino)methyl]thiophen-3-amine

2-[(5,5,5-trifluoropentylamino)methyl]thiophen-3-amine (PubChem CID 115517498) has the molecular formula C10H15F3N2S and a molecular weight of 252.30 g/mol. Its IUPAC name is 2-[(5,5,5-trifluoropentylamino)methyl]thiophen-3-amine.

Molecular Properties

Compound Name2-[(5,5,5-trifluoropentylamino)methyl]thiophen-3-amine
PubChem CID115517498
Molecular FormulaC10H15F3N2S
Molecular Weight252.30 g/mol
Exact Mass252.09
IUPAC Name2-[(5,5,5-trifluoropentylamino)methyl]thiophen-3-amine
SMILESNc1ccsc1CNCCCCC(F)(F)F
InChIInChI=1S/C10H15F3N2S/c11-10(12,13)4-1-2-5-15-7-9-8(14)3-6-16-9/h3,6,15H,1-2,4-5,7,14H2
InChIKeyRJTWZINTTMYQDO-UHFFFAOYSA-N
XLogP3.15
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.30
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[(3-aminothiophen-2-yl)methylamino]butanoic acid
CID 66387769
2-[(5,5,5-trifluoropentylamino)methyl]aniline
CID 113327123
3-[(3-aminothiophen-2-yl)methylamino]propanenitrile
CID 66385922
2-[(2-phenylethylamino)methyl]thiophen-3-amine
CID 66386306
2-fluoro-4-[(5,5,5-trifluoropentylamino)methyl]aniline
CID 113327736
2-chloro-4-[(5,5,5-trifluoropentylamino)methyl]aniline
CID 115520310
2-[[[2-(trifluoromethyl)phenyl]methylamino]methyl]thiophen-3-amine
CID 66387997
2-[[(4-fluorophenyl)methylamino]methyl]thiophen-3-amine
CID 66387899
4-[(3-aminothiophen-2-yl)methylamino]-3,3-dimethylbutan-1-ol
CID 106143896
2-[(5,5,5-trifluoropentylamino)methyl]phenol
CID 115491381
1-N-[(3-aminothiophen-2-yl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine
CID 66384977
2-[[(5-bromothiophen-2-yl)methylamino]methyl]thiophen-3-amine
CID 66386783

Frequently Asked Questions

What is the IUPAC name of 2-[(5,5,5-trifluoropentylamino)methyl]thiophen-3-amine?
The IUPAC name of 2-[(5,5,5-trifluoropentylamino)methyl]thiophen-3-amine (CID 115517498) is 2-[(5,5,5-trifluoropentylamino)methyl]thiophen-3-amine.
What is the SMILES notation for 2-[(5,5,5-trifluoropentylamino)methyl]thiophen-3-amine?
The canonical SMILES for 2-[(5,5,5-trifluoropentylamino)methyl]thiophen-3-amine is Nc1ccsc1CNCCCCC(F)(F)F.
What is the InChIKey of 2-[(5,5,5-trifluoropentylamino)methyl]thiophen-3-amine?
The InChIKey is RJTWZINTTMYQDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2S/c11-10(12,13)4-1-2-5-15-7-9-8(14)3-6-16-9/h3,6,15H,1-2,4-5,7,14H2.
What are the key properties of 2-[(5,5,5-trifluoropentylamino)methyl]thiophen-3-amine?
2-[(5,5,5-trifluoropentylamino)methyl]thiophen-3-amine has a molecular weight of 252.30 g/mol, XLogP of 3.15, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5,5,5-trifluoropentylamino)methyl]thiophen-3-amine is sourced from PubChem (CID 115517498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).