N-[(3-methoxythiophen-2-yl)-(1-propylimidazol-2-yl)methyl]propan-1-amine

C15H23N3OS — CID 81124813

IUPACN-[(3-methoxythiophen-2-yl)-(1-propylimidazol-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1sccc1OC)c1nccn1CCC
InChIInChI=1S/C15H23N3OS/c1-4-7-16-13(14-12(19-3)6-11-20-14)15-17-8-10-18(15)9-5-2/h6,8,10-11,13,16H,4-5,7,9H2,1-3H3
InChIKeyCCNXHMKJHDKBIR-UHFFFAOYSA-N
MW293.44 g/mol
LogP3.45
Rot. Bonds8

About N-[(3-methoxythiophen-2-yl)-(1-propylimidazol-2-yl)methyl]propan-1-amine

N-[(3-methoxythiophen-2-yl)-(1-propylimidazol-2-yl)methyl]propan-1-amine (PubChem CID 81124813) has the molecular formula C15H23N3OS and a molecular weight of 293.44 g/mol. Its IUPAC name is N-[(3-methoxythiophen-2-yl)-(1-propylimidazol-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3-methoxythiophen-2-yl)-(1-propylimidazol-2-yl)methyl]propan-1-amine
PubChem CID81124813
Molecular FormulaC15H23N3OS
Molecular Weight293.44 g/mol
Exact Mass293.16
IUPAC NameN-[(3-methoxythiophen-2-yl)-(1-propylimidazol-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1sccc1OC)c1nccn1CCC
InChIInChI=1S/C15H23N3OS/c1-4-7-16-13(14-12(19-3)6-11-20-14)15-17-8-10-18(15)9-5-2/h6,8,10-11,13,16H,4-5,7,9H2,1-3H3
InChIKeyCCNXHMKJHDKBIR-UHFFFAOYSA-N
XLogP3.45
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.44
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxythiophen-2-yl)-(1-propylimidazol-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[(3-methoxythiophen-2-yl)-(1-propylimidazol-2-yl)methyl]propan-1-amine (CID 81124813) is N-[(3-methoxythiophen-2-yl)-(1-propylimidazol-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(3-methoxythiophen-2-yl)-(1-propylimidazol-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(3-methoxythiophen-2-yl)-(1-propylimidazol-2-yl)methyl]propan-1-amine is CCCNC(c1sccc1OC)c1nccn1CCC.
What is the InChIKey of N-[(3-methoxythiophen-2-yl)-(1-propylimidazol-2-yl)methyl]propan-1-amine?
The InChIKey is CCNXHMKJHDKBIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3OS/c1-4-7-16-13(14-12(19-3)6-11-20-14)15-17-8-10-18(15)9-5-2/h6,8,10-11,13,16H,4-5,7,9H2,1-3H3.
What are the key properties of N-[(3-methoxythiophen-2-yl)-(1-propylimidazol-2-yl)methyl]propan-1-amine?
N-[(3-methoxythiophen-2-yl)-(1-propylimidazol-2-yl)methyl]propan-1-amine has a molecular weight of 293.44 g/mol, XLogP of 3.45, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxythiophen-2-yl)-(1-propylimidazol-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 81124813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).