2-[(3-methylbutan-2-ylamino)methyl]thiophen-3-amine

C10H18N2S — CID 66386521

IUPAC2-[(3-methylbutan-2-ylamino)methyl]thiophen-3-amine
SMILESCC(C)C(C)NCc1sccc1N
InChIInChI=1S/C10H18N2S/c1-7(2)8(3)12-6-10-9(11)4-5-13-10/h4-5,7-8,12H,6,11H2,1-3H3
InChIKeyDJNBWJYLMCFSJW-UHFFFAOYSA-N
MW198.33 g/mol
LogP2.46
Rot. Bonds4

About 2-[(3-methylbutan-2-ylamino)methyl]thiophen-3-amine

2-[(3-methylbutan-2-ylamino)methyl]thiophen-3-amine (PubChem CID 66386521) has the molecular formula C10H18N2S and a molecular weight of 198.33 g/mol. Its IUPAC name is 2-[(3-methylbutan-2-ylamino)methyl]thiophen-3-amine.

Molecular Properties

Compound Name2-[(3-methylbutan-2-ylamino)methyl]thiophen-3-amine
PubChem CID66386521
Molecular FormulaC10H18N2S
Molecular Weight198.33 g/mol
Exact Mass198.12
IUPAC Name2-[(3-methylbutan-2-ylamino)methyl]thiophen-3-amine
SMILESCC(C)C(C)NCc1sccc1N
InChIInChI=1S/C10H18N2S/c1-7(2)8(3)12-6-10-9(11)4-5-13-10/h4-5,7-8,12H,6,11H2,1-3H3
InChIKeyDJNBWJYLMCFSJW-UHFFFAOYSA-N
XLogP2.46
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.33
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(hexan-2-ylamino)methyl]thiophen-3-amine
CID 66385998
2-[[[(1S)-1-(4-bromophenyl)ethyl]amino]methyl]thiophen-3-amine
CID 81360179
2-[[[(1S)-1-(4-chlorophenyl)ethyl]amino]methyl]thiophen-3-amine
CID 81351915
2-[[[(1R)-1-(furan-2-yl)ethyl]amino]methyl]thiophen-3-amine
CID 81403332
2-[[(3-methyl-1-phenylbutyl)amino]methyl]thiophen-3-amine
CID 66385749
2-[[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]thiophen-3-amine
CID 66386414
2-[[1-(3,4-dichlorophenyl)ethylamino]methyl]thiophen-3-amine
CID 66386508
2-[[1-(2,4-difluorophenyl)ethylamino]methyl]thiophen-3-amine
CID 66385737
4-[1-[(3-aminothiophen-2-yl)methylamino]ethyl]benzenesulfonamide
CID 66386535
4-[3-[(3-aminothiophen-2-yl)methylamino]butyl]phenol
CID 66387165
1-N-[(3-aminothiophen-2-yl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine
CID 66384977
[4-[1-[(3-aminothiophen-2-yl)methylamino]ethyl]phenyl]urea
CID 66386169

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methylbutan-2-ylamino)methyl]thiophen-3-amine?
The IUPAC name of 2-[(3-methylbutan-2-ylamino)methyl]thiophen-3-amine (CID 66386521) is 2-[(3-methylbutan-2-ylamino)methyl]thiophen-3-amine.
What is the SMILES notation for 2-[(3-methylbutan-2-ylamino)methyl]thiophen-3-amine?
The canonical SMILES for 2-[(3-methylbutan-2-ylamino)methyl]thiophen-3-amine is CC(C)C(C)NCc1sccc1N.
What is the InChIKey of 2-[(3-methylbutan-2-ylamino)methyl]thiophen-3-amine?
The InChIKey is DJNBWJYLMCFSJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2S/c1-7(2)8(3)12-6-10-9(11)4-5-13-10/h4-5,7-8,12H,6,11H2,1-3H3.
What are the key properties of 2-[(3-methylbutan-2-ylamino)methyl]thiophen-3-amine?
2-[(3-methylbutan-2-ylamino)methyl]thiophen-3-amine has a molecular weight of 198.33 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methylbutan-2-ylamino)methyl]thiophen-3-amine is sourced from PubChem (CID 66386521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).