1-(5-methylfuran-2-yl)-N-[(3-propylimidazol-4-yl)methyl]ethanamine

C14H21N3O — CID 66131133

IUPAC1-(5-methylfuran-2-yl)-N-[(3-propylimidazol-4-yl)methyl]ethanamine
SMILESCCCn1cncc1CNC(C)c1ccc(C)o1
InChIInChI=1S/C14H21N3O/c1-4-7-17-10-15-8-13(17)9-16-12(3)14-6-5-11(2)18-14/h5-6,8,10,12,16H,4,7,9H2,1-3H3
InChIKeyHHYIXMSPVNYHCU-UHFFFAOYSA-N
MW247.34 g/mol
LogP3.05
Rot. Bonds6

About 1-(5-methylfuran-2-yl)-N-[(3-propylimidazol-4-yl)methyl]ethanamine

1-(5-methylfuran-2-yl)-N-[(3-propylimidazol-4-yl)methyl]ethanamine (PubChem CID 66131133) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-(5-methylfuran-2-yl)-N-[(3-propylimidazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-(5-methylfuran-2-yl)-N-[(3-propylimidazol-4-yl)methyl]ethanamine
PubChem CID66131133
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name1-(5-methylfuran-2-yl)-N-[(3-propylimidazol-4-yl)methyl]ethanamine
SMILESCCCn1cncc1CNC(C)c1ccc(C)o1
InChIInChI=1S/C14H21N3O/c1-4-7-17-10-15-8-13(17)9-16-12(3)14-6-5-11(2)18-14/h5-6,8,10,12,16H,4,7,9H2,1-3H3
InChIKeyHHYIXMSPVNYHCU-UHFFFAOYSA-N
XLogP3.05
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methylfuran-2-yl)-N-[(3-propylimidazol-4-yl)methyl]ethanamine?
The IUPAC name of 1-(5-methylfuran-2-yl)-N-[(3-propylimidazol-4-yl)methyl]ethanamine (CID 66131133) is 1-(5-methylfuran-2-yl)-N-[(3-propylimidazol-4-yl)methyl]ethanamine.
What is the SMILES notation for 1-(5-methylfuran-2-yl)-N-[(3-propylimidazol-4-yl)methyl]ethanamine?
The canonical SMILES for 1-(5-methylfuran-2-yl)-N-[(3-propylimidazol-4-yl)methyl]ethanamine is CCCn1cncc1CNC(C)c1ccc(C)o1.
What is the InChIKey of 1-(5-methylfuran-2-yl)-N-[(3-propylimidazol-4-yl)methyl]ethanamine?
The InChIKey is HHYIXMSPVNYHCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-4-7-17-10-15-8-13(17)9-16-12(3)14-6-5-11(2)18-14/h5-6,8,10,12,16H,4,7,9H2,1-3H3.
What are the key properties of 1-(5-methylfuran-2-yl)-N-[(3-propylimidazol-4-yl)methyl]ethanamine?
1-(5-methylfuran-2-yl)-N-[(3-propylimidazol-4-yl)methyl]ethanamine has a molecular weight of 247.34 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylfuran-2-yl)-N-[(3-propylimidazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 66131133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).