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

C12H20N2OS — CID 66263926

IUPAC4-methyl-4-[[(5-methylthiophen-2-yl)methylamino]methyl]oxolan-3-amine
SMILESCc1ccc(CNCC2(C)COCC2N)s1
InChIInChI=1S/C12H20N2OS/c1-9-3-4-10(16-9)5-14-7-12(2)8-15-6-11(12)13/h3-4,11,14H,5-8,13H2,1-2H3
InChIKeySMXBYQZNWONHME-UHFFFAOYSA-N
MW240.37 g/mol
LogP1.51
Rot. Bonds4

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

4-methyl-4-[[(5-methylthiophen-2-yl)methylamino]methyl]oxolan-3-amine (PubChem CID 66263926) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is 4-methyl-4-[[(5-methylthiophen-2-yl)methylamino]methyl]oxolan-3-amine.

Molecular Properties

Compound Name4-methyl-4-[[(5-methylthiophen-2-yl)methylamino]methyl]oxolan-3-amine
PubChem CID66263926
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC Name4-methyl-4-[[(5-methylthiophen-2-yl)methylamino]methyl]oxolan-3-amine
SMILESCc1ccc(CNCC2(C)COCC2N)s1
InChIInChI=1S/C12H20N2OS/c1-9-3-4-10(16-9)5-14-7-12(2)8-15-6-11(12)13/h3-4,11,14H,5-8,13H2,1-2H3
InChIKeySMXBYQZNWONHME-UHFFFAOYSA-N
XLogP1.51
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-[[(5-methylthiophen-2-yl)methylamino]methyl]oxolan-3-amine?
The IUPAC name of 4-methyl-4-[[(5-methylthiophen-2-yl)methylamino]methyl]oxolan-3-amine (CID 66263926) is 4-methyl-4-[[(5-methylthiophen-2-yl)methylamino]methyl]oxolan-3-amine.
What is the SMILES notation for 4-methyl-4-[[(5-methylthiophen-2-yl)methylamino]methyl]oxolan-3-amine?
The canonical SMILES for 4-methyl-4-[[(5-methylthiophen-2-yl)methylamino]methyl]oxolan-3-amine is Cc1ccc(CNCC2(C)COCC2N)s1.
What is the InChIKey of 4-methyl-4-[[(5-methylthiophen-2-yl)methylamino]methyl]oxolan-3-amine?
The InChIKey is SMXBYQZNWONHME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS/c1-9-3-4-10(16-9)5-14-7-12(2)8-15-6-11(12)13/h3-4,11,14H,5-8,13H2,1-2H3.
What are the key properties of 4-methyl-4-[[(5-methylthiophen-2-yl)methylamino]methyl]oxolan-3-amine?
4-methyl-4-[[(5-methylthiophen-2-yl)methylamino]methyl]oxolan-3-amine has a molecular weight of 240.37 g/mol, XLogP of 1.51, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-[[(5-methylthiophen-2-yl)methylamino]methyl]oxolan-3-amine is sourced from PubChem (CID 66263926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).