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

C12H22N2S — CID 66385813

IUPAC2-[(3-ethylpentan-3-ylamino)methyl]thiophen-3-amine
SMILESCCC(CC)(CC)NCc1sccc1N
InChIInChI=1S/C12H22N2S/c1-4-12(5-2,6-3)14-9-11-10(13)7-8-15-11/h7-8,14H,4-6,9,13H2,1-3H3
InChIKeyALNPNUDMDCWCBW-UHFFFAOYSA-N
MW226.39 g/mol
LogP3.39
Rot. Bonds6

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

2-[(3-ethylpentan-3-ylamino)methyl]thiophen-3-amine (PubChem CID 66385813) has the molecular formula C12H22N2S and a molecular weight of 226.39 g/mol. Its IUPAC name is 2-[(3-ethylpentan-3-ylamino)methyl]thiophen-3-amine.

Molecular Properties

Compound Name2-[(3-ethylpentan-3-ylamino)methyl]thiophen-3-amine
PubChem CID66385813
Molecular FormulaC12H22N2S
Molecular Weight226.39 g/mol
Exact Mass226.15
IUPAC Name2-[(3-ethylpentan-3-ylamino)methyl]thiophen-3-amine
SMILESCCC(CC)(CC)NCc1sccc1N
InChIInChI=1S/C12H22N2S/c1-4-12(5-2,6-3)14-9-11-10(13)7-8-15-11/h7-8,14H,4-6,9,13H2,1-3H3
InChIKeyALNPNUDMDCWCBW-UHFFFAOYSA-N
XLogP3.39
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.39
LogP ≤ 53.39
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-[(4-tert-butylanilino)methyl]thiophen-3-amine
CID 66385089
2-[[(2-ethoxy-2-methylpropyl)amino]methyl]thiophen-3-amine
CID 114941526
2-[(3-methylbutan-2-ylamino)methyl]thiophen-3-amine
CID 66386521
2-[[[4-(2-methylbutan-2-yl)cyclohexyl]amino]methyl]thiophen-3-amine
CID 66386729
1-N-[(3-aminothiophen-2-yl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine
CID 66384977
2-[[(2-methylthiophen-3-yl)amino]methyl]thiophen-3-amine
CID 134839997
N-[2-[[3-(hydroxymethyl)pentan-3-ylamino]methyl]thiophen-3-yl]acetamide
CID 66385194
N-[(3-aminothiophen-2-yl)methyl]-2,6-dimethylpiperidin-1-amine
CID 83009439
4-[(3-aminothiophen-2-yl)methylamino]-3,3-dimethylbutan-1-ol
CID 106143896
2-[(3-methylbut-2-enylamino)methyl]thiophen-3-amine
CID 106181412
2-[(2,3,4,5,6-pentafluoroanilino)methyl]thiophen-3-amine
CID 115564219

Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethylpentan-3-ylamino)methyl]thiophen-3-amine?
The IUPAC name of 2-[(3-ethylpentan-3-ylamino)methyl]thiophen-3-amine (CID 66385813) is 2-[(3-ethylpentan-3-ylamino)methyl]thiophen-3-amine.
What is the SMILES notation for 2-[(3-ethylpentan-3-ylamino)methyl]thiophen-3-amine?
The canonical SMILES for 2-[(3-ethylpentan-3-ylamino)methyl]thiophen-3-amine is CCC(CC)(CC)NCc1sccc1N.
What is the InChIKey of 2-[(3-ethylpentan-3-ylamino)methyl]thiophen-3-amine?
The InChIKey is ALNPNUDMDCWCBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2S/c1-4-12(5-2,6-3)14-9-11-10(13)7-8-15-11/h7-8,14H,4-6,9,13H2,1-3H3.
What are the key properties of 2-[(3-ethylpentan-3-ylamino)methyl]thiophen-3-amine?
2-[(3-ethylpentan-3-ylamino)methyl]thiophen-3-amine has a molecular weight of 226.39 g/mol, XLogP of 3.39, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethylpentan-3-ylamino)methyl]thiophen-3-amine is sourced from PubChem (CID 66385813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).