1-(3-methoxythiophen-2-yl)-N-methyl-1-(1-propylimidazol-2-yl)methanamine

C13H19N3OS — CID 81124504

IUPAC1-(3-methoxythiophen-2-yl)-N-methyl-1-(1-propylimidazol-2-yl)methanamine
SMILESCCCn1ccnc1C(NC)c1sccc1OC
InChIInChI=1S/C13H19N3OS/c1-4-7-16-8-6-15-13(16)11(14-2)12-10(17-3)5-9-18-12/h5-6,8-9,11,14H,4,7H2,1-3H3
InChIKeyABEKIQFHTSBSDF-UHFFFAOYSA-N
MW265.38 g/mol
LogP2.67
Rot. Bonds6

About 1-(3-methoxythiophen-2-yl)-N-methyl-1-(1-propylimidazol-2-yl)methanamine

1-(3-methoxythiophen-2-yl)-N-methyl-1-(1-propylimidazol-2-yl)methanamine (PubChem CID 81124504) has the molecular formula C13H19N3OS and a molecular weight of 265.38 g/mol. Its IUPAC name is 1-(3-methoxythiophen-2-yl)-N-methyl-1-(1-propylimidazol-2-yl)methanamine.

Molecular Properties

Compound Name1-(3-methoxythiophen-2-yl)-N-methyl-1-(1-propylimidazol-2-yl)methanamine
PubChem CID81124504
Molecular FormulaC13H19N3OS
Molecular Weight265.38 g/mol
Exact Mass265.12
IUPAC Name1-(3-methoxythiophen-2-yl)-N-methyl-1-(1-propylimidazol-2-yl)methanamine
SMILESCCCn1ccnc1C(NC)c1sccc1OC
InChIInChI=1S/C13H19N3OS/c1-4-7-16-8-6-15-13(16)11(14-2)12-10(17-3)5-9-18-12/h5-6,8-9,11,14H,4,7H2,1-3H3
InChIKeyABEKIQFHTSBSDF-UHFFFAOYSA-N
XLogP2.67
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxythiophen-2-yl)-N-methyl-1-(1-propylimidazol-2-yl)methanamine?
The IUPAC name of 1-(3-methoxythiophen-2-yl)-N-methyl-1-(1-propylimidazol-2-yl)methanamine (CID 81124504) is 1-(3-methoxythiophen-2-yl)-N-methyl-1-(1-propylimidazol-2-yl)methanamine.
What is the SMILES notation for 1-(3-methoxythiophen-2-yl)-N-methyl-1-(1-propylimidazol-2-yl)methanamine?
The canonical SMILES for 1-(3-methoxythiophen-2-yl)-N-methyl-1-(1-propylimidazol-2-yl)methanamine is CCCn1ccnc1C(NC)c1sccc1OC.
What is the InChIKey of 1-(3-methoxythiophen-2-yl)-N-methyl-1-(1-propylimidazol-2-yl)methanamine?
The InChIKey is ABEKIQFHTSBSDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3OS/c1-4-7-16-8-6-15-13(16)11(14-2)12-10(17-3)5-9-18-12/h5-6,8-9,11,14H,4,7H2,1-3H3.
What are the key properties of 1-(3-methoxythiophen-2-yl)-N-methyl-1-(1-propylimidazol-2-yl)methanamine?
1-(3-methoxythiophen-2-yl)-N-methyl-1-(1-propylimidazol-2-yl)methanamine has a molecular weight of 265.38 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxythiophen-2-yl)-N-methyl-1-(1-propylimidazol-2-yl)methanamine is sourced from PubChem (CID 81124504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).