1-[5-[(5-ethyl-2-methylmorpholin-4-yl)methyl]thiophen-2-yl]-N-methylmethanamine

C14H24N2OS — CID 107556582

IUPAC1-[5-[(5-ethyl-2-methylmorpholin-4-yl)methyl]thiophen-2-yl]-N-methylmethanamine
SMILESCCC1COC(C)CN1Cc1ccc(CNC)s1
InChIInChI=1S/C14H24N2OS/c1-4-12-10-17-11(2)8-16(12)9-14-6-5-13(18-14)7-15-3/h5-6,11-12,15H,4,7-10H2,1-3H3
InChIKeyOPQRHRSHSOSNED-UHFFFAOYSA-N
MW268.43 g/mol
LogP2.47
Rot. Bonds5

About 1-[5-[(5-ethyl-2-methylmorpholin-4-yl)methyl]thiophen-2-yl]-N-methylmethanamine

1-[5-[(5-ethyl-2-methylmorpholin-4-yl)methyl]thiophen-2-yl]-N-methylmethanamine (PubChem CID 107556582) has the molecular formula C14H24N2OS and a molecular weight of 268.43 g/mol. Its IUPAC name is 1-[5-[(5-ethyl-2-methylmorpholin-4-yl)methyl]thiophen-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-[(5-ethyl-2-methylmorpholin-4-yl)methyl]thiophen-2-yl]-N-methylmethanamine
PubChem CID107556582
Molecular FormulaC14H24N2OS
Molecular Weight268.43 g/mol
Exact Mass268.16
IUPAC Name1-[5-[(5-ethyl-2-methylmorpholin-4-yl)methyl]thiophen-2-yl]-N-methylmethanamine
SMILESCCC1COC(C)CN1Cc1ccc(CNC)s1
InChIInChI=1S/C14H24N2OS/c1-4-12-10-17-11(2)8-16(12)9-14-6-5-13(18-14)7-15-3/h5-6,11-12,15H,4,7-10H2,1-3H3
InChIKeyOPQRHRSHSOSNED-UHFFFAOYSA-N
XLogP2.47
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[(5-ethyl-2-methylmorpholin-4-yl)methyl]thiophen-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[5-[(5-ethyl-2-methylmorpholin-4-yl)methyl]thiophen-2-yl]-N-methylmethanamine (CID 107556582) is 1-[5-[(5-ethyl-2-methylmorpholin-4-yl)methyl]thiophen-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-[(5-ethyl-2-methylmorpholin-4-yl)methyl]thiophen-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[5-[(5-ethyl-2-methylmorpholin-4-yl)methyl]thiophen-2-yl]-N-methylmethanamine is CCC1COC(C)CN1Cc1ccc(CNC)s1.
What is the InChIKey of 1-[5-[(5-ethyl-2-methylmorpholin-4-yl)methyl]thiophen-2-yl]-N-methylmethanamine?
The InChIKey is OPQRHRSHSOSNED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2OS/c1-4-12-10-17-11(2)8-16(12)9-14-6-5-13(18-14)7-15-3/h5-6,11-12,15H,4,7-10H2,1-3H3.
What are the key properties of 1-[5-[(5-ethyl-2-methylmorpholin-4-yl)methyl]thiophen-2-yl]-N-methylmethanamine?
1-[5-[(5-ethyl-2-methylmorpholin-4-yl)methyl]thiophen-2-yl]-N-methylmethanamine has a molecular weight of 268.43 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(5-ethyl-2-methylmorpholin-4-yl)methyl]thiophen-2-yl]-N-methylmethanamine is sourced from PubChem (CID 107556582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).