4-[[(5-ethylthiophen-2-yl)methylamino]methyl]oxolan-3-amine

C12H20N2OS — CID 106012165

IUPAC4-[[(5-ethylthiophen-2-yl)methylamino]methyl]oxolan-3-amine
SMILESCCc1ccc(CNCC2COCC2N)s1
InChIInChI=1S/C12H20N2OS/c1-2-10-3-4-11(16-10)6-14-5-9-7-15-8-12(9)13/h3-4,9,12,14H,2,5-8,13H2,1H3
InChIKeyHUDJOJDWIRCVNY-UHFFFAOYSA-N
MW240.37 g/mol
LogP1.37
Rot. Bonds5

About 4-[[(5-ethylthiophen-2-yl)methylamino]methyl]oxolan-3-amine

4-[[(5-ethylthiophen-2-yl)methylamino]methyl]oxolan-3-amine (PubChem CID 106012165) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is 4-[[(5-ethylthiophen-2-yl)methylamino]methyl]oxolan-3-amine.

Molecular Properties

Compound Name4-[[(5-ethylthiophen-2-yl)methylamino]methyl]oxolan-3-amine
PubChem CID106012165
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC Name4-[[(5-ethylthiophen-2-yl)methylamino]methyl]oxolan-3-amine
SMILESCCc1ccc(CNCC2COCC2N)s1
InChIInChI=1S/C12H20N2OS/c1-2-10-3-4-11(16-10)6-14-5-9-7-15-8-12(9)13/h3-4,9,12,14H,2,5-8,13H2,1H3
InChIKeyHUDJOJDWIRCVNY-UHFFFAOYSA-N
XLogP1.37
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[(5-methylthiophen-2-yl)methylamino]methyl]oxolan-3-amine
CID 66235309
4-[[(5-ethylthiophen-2-yl)methylamino]methyl]-N-methyloxolan-3-amine
CID 106012094
[2-[[(5-ethylthiophen-2-yl)methylamino]methyl]cyclohexyl]methanamine
CID 106012069
4-[[(5-chlorothiophen-2-yl)methylamino]methyl]-N-ethyloxolan-3-amine
CID 66259724
4-[(thiophen-3-ylmethylamino)methyl]oxolan-3-amine
CID 66238345
1-(1,3-dioxan-4-yl)-N-[(5-ethylthiophen-2-yl)methyl]methanamine
CID 106011037
N'-[(5-ethylthiophen-2-yl)methyl]ethane-1,2-diamine
CID 62142433
N-[(5-ethylthiophen-2-yl)methyl]-1-(1-oxaspiro[4.5]decan-2-yl)methanamine
CID 106010999
4-[(2,2-dimethylbutylamino)methyl]oxolan-3-amine
CID 103462274
N-[[1-(aminomethyl)cyclopropyl]methyl]-1-(5-ethylthiophen-2-yl)methanamine
CID 106012052
1-N-[(5-ethylthiophen-2-yl)methyl]-3,3-dimethylbutane-1,2-diamine
CID 106012081
2,5-diethylthiophene
CID 521294

Frequently Asked Questions

What is the IUPAC name of 4-[[(5-ethylthiophen-2-yl)methylamino]methyl]oxolan-3-amine?
The IUPAC name of 4-[[(5-ethylthiophen-2-yl)methylamino]methyl]oxolan-3-amine (CID 106012165) is 4-[[(5-ethylthiophen-2-yl)methylamino]methyl]oxolan-3-amine.
What is the SMILES notation for 4-[[(5-ethylthiophen-2-yl)methylamino]methyl]oxolan-3-amine?
The canonical SMILES for 4-[[(5-ethylthiophen-2-yl)methylamino]methyl]oxolan-3-amine is CCc1ccc(CNCC2COCC2N)s1.
What is the InChIKey of 4-[[(5-ethylthiophen-2-yl)methylamino]methyl]oxolan-3-amine?
The InChIKey is HUDJOJDWIRCVNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS/c1-2-10-3-4-11(16-10)6-14-5-9-7-15-8-12(9)13/h3-4,9,12,14H,2,5-8,13H2,1H3.
What are the key properties of 4-[[(5-ethylthiophen-2-yl)methylamino]methyl]oxolan-3-amine?
4-[[(5-ethylthiophen-2-yl)methylamino]methyl]oxolan-3-amine has a molecular weight of 240.37 g/mol, XLogP of 1.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(5-ethylthiophen-2-yl)methylamino]methyl]oxolan-3-amine is sourced from PubChem (CID 106012165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).