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

C14H21N3OS — CID 81124658

IUPACN-[(3-methoxythiophen-2-yl)-(1-propylimidazol-2-yl)methyl]ethanamine
SMILESCCCn1ccnc1C(NCC)c1sccc1OC
InChIInChI=1S/C14H21N3OS/c1-4-8-17-9-7-16-14(17)12(15-5-2)13-11(18-3)6-10-19-13/h6-7,9-10,12,15H,4-5,8H2,1-3H3
InChIKeyUNAGSVAYINXDSI-UHFFFAOYSA-N
MW279.41 g/mol
LogP3.06
Rot. Bonds7

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

N-[(3-methoxythiophen-2-yl)-(1-propylimidazol-2-yl)methyl]ethanamine (PubChem CID 81124658) has the molecular formula C14H21N3OS and a molecular weight of 279.41 g/mol. Its IUPAC name is N-[(3-methoxythiophen-2-yl)-(1-propylimidazol-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-methoxythiophen-2-yl)-(1-propylimidazol-2-yl)methyl]ethanamine
PubChem CID81124658
Molecular FormulaC14H21N3OS
Molecular Weight279.41 g/mol
Exact Mass279.14
IUPAC NameN-[(3-methoxythiophen-2-yl)-(1-propylimidazol-2-yl)methyl]ethanamine
SMILESCCCn1ccnc1C(NCC)c1sccc1OC
InChIInChI=1S/C14H21N3OS/c1-4-8-17-9-7-16-14(17)12(15-5-2)13-11(18-3)6-10-19-13/h6-7,9-10,12,15H,4-5,8H2,1-3H3
InChIKeyUNAGSVAYINXDSI-UHFFFAOYSA-N
XLogP3.06
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 53.06
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]ethanamine?
The IUPAC name of N-[(3-methoxythiophen-2-yl)-(1-propylimidazol-2-yl)methyl]ethanamine (CID 81124658) is N-[(3-methoxythiophen-2-yl)-(1-propylimidazol-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(3-methoxythiophen-2-yl)-(1-propylimidazol-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(3-methoxythiophen-2-yl)-(1-propylimidazol-2-yl)methyl]ethanamine is CCCn1ccnc1C(NCC)c1sccc1OC.
What is the InChIKey of N-[(3-methoxythiophen-2-yl)-(1-propylimidazol-2-yl)methyl]ethanamine?
The InChIKey is UNAGSVAYINXDSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3OS/c1-4-8-17-9-7-16-14(17)12(15-5-2)13-11(18-3)6-10-19-13/h6-7,9-10,12,15H,4-5,8H2,1-3H3.
What are the key properties of N-[(3-methoxythiophen-2-yl)-(1-propylimidazol-2-yl)methyl]ethanamine?
N-[(3-methoxythiophen-2-yl)-(1-propylimidazol-2-yl)methyl]ethanamine has a molecular weight of 279.41 g/mol, XLogP of 3.06, 7 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]ethanamine is sourced from PubChem (CID 81124658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).