2-[(4-methoxybutan-2-ylamino)methyl]thiophen-3-amine

C10H18N2OS — CID 66387413

IUPAC2-[(4-methoxybutan-2-ylamino)methyl]thiophen-3-amine
SMILESCOCCC(C)NCc1sccc1N
InChIInChI=1S/C10H18N2OS/c1-8(3-5-13-2)12-7-10-9(11)4-6-14-10/h4,6,8,12H,3,5,7,11H2,1-2H3
InChIKeyGLMDTVJRFVDQLX-UHFFFAOYSA-N
MW214.33 g/mol
LogP1.84
Rot. Bonds6

About 2-[(4-methoxybutan-2-ylamino)methyl]thiophen-3-amine

2-[(4-methoxybutan-2-ylamino)methyl]thiophen-3-amine (PubChem CID 66387413) has the molecular formula C10H18N2OS and a molecular weight of 214.33 g/mol. Its IUPAC name is 2-[(4-methoxybutan-2-ylamino)methyl]thiophen-3-amine.

Molecular Properties

Compound Name2-[(4-methoxybutan-2-ylamino)methyl]thiophen-3-amine
PubChem CID66387413
Molecular FormulaC10H18N2OS
Molecular Weight214.33 g/mol
Exact Mass214.11
IUPAC Name2-[(4-methoxybutan-2-ylamino)methyl]thiophen-3-amine
SMILESCOCCC(C)NCc1sccc1N
InChIInChI=1S/C10H18N2OS/c1-8(3-5-13-2)12-7-10-9(11)4-6-14-10/h4,6,8,12H,3,5,7,11H2,1-2H3
InChIKeyGLMDTVJRFVDQLX-UHFFFAOYSA-N
XLogP1.84
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxybutan-2-ylamino)methyl]thiophen-3-amine?
The IUPAC name of 2-[(4-methoxybutan-2-ylamino)methyl]thiophen-3-amine (CID 66387413) is 2-[(4-methoxybutan-2-ylamino)methyl]thiophen-3-amine.
What is the SMILES notation for 2-[(4-methoxybutan-2-ylamino)methyl]thiophen-3-amine?
The canonical SMILES for 2-[(4-methoxybutan-2-ylamino)methyl]thiophen-3-amine is COCCC(C)NCc1sccc1N.
What is the InChIKey of 2-[(4-methoxybutan-2-ylamino)methyl]thiophen-3-amine?
The InChIKey is GLMDTVJRFVDQLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2OS/c1-8(3-5-13-2)12-7-10-9(11)4-6-14-10/h4,6,8,12H,3,5,7,11H2,1-2H3.
What are the key properties of 2-[(4-methoxybutan-2-ylamino)methyl]thiophen-3-amine?
2-[(4-methoxybutan-2-ylamino)methyl]thiophen-3-amine has a molecular weight of 214.33 g/mol, XLogP of 1.84, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxybutan-2-ylamino)methyl]thiophen-3-amine is sourced from PubChem (CID 66387413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).