N-(furan-2-ylmethyl)-2-(1H-imidazol-5-yl)-N-methylethanamine

C11H15N3O — CID 14712095

IUPACN-(furan-2-ylmethyl)-2-(1H-imidazol-5-yl)-N-methylethanamine
SMILESCN(CCc1cnc[nH]1)Cc1ccco1
InChIInChI=1S/C11H15N3O/c1-14(8-11-3-2-6-15-11)5-4-10-7-12-9-13-10/h2-3,6-7,9H,4-5,8H2,1H3,(H,12,13)
InChIKeyRWMXYXWGAYKKJL-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.68
Rot. Bonds5

About N-(furan-2-ylmethyl)-2-(1H-imidazol-5-yl)-N-methylethanamine

N-(furan-2-ylmethyl)-2-(1H-imidazol-5-yl)-N-methylethanamine (PubChem CID 14712095) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-(1H-imidazol-5-yl)-N-methylethanamine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-(1H-imidazol-5-yl)-N-methylethanamine
PubChem CID14712095
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC NameN-(furan-2-ylmethyl)-2-(1H-imidazol-5-yl)-N-methylethanamine
SMILESCN(CCc1cnc[nH]1)Cc1ccco1
InChIInChI=1S/C11H15N3O/c1-14(8-11-3-2-6-15-11)5-4-10-7-12-9-13-10/h2-3,6-7,9H,4-5,8H2,1H3,(H,12,13)
InChIKeyRWMXYXWGAYKKJL-UHFFFAOYSA-N
XLogP1.68
TPSA45.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-(1H-imidazol-5-yl)-N-methylethanamine?
The IUPAC name of N-(furan-2-ylmethyl)-2-(1H-imidazol-5-yl)-N-methylethanamine (CID 14712095) is N-(furan-2-ylmethyl)-2-(1H-imidazol-5-yl)-N-methylethanamine.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-(1H-imidazol-5-yl)-N-methylethanamine?
The canonical SMILES for N-(furan-2-ylmethyl)-2-(1H-imidazol-5-yl)-N-methylethanamine is CN(CCc1cnc[nH]1)Cc1ccco1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-(1H-imidazol-5-yl)-N-methylethanamine?
The InChIKey is RWMXYXWGAYKKJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-14(8-11-3-2-6-15-11)5-4-10-7-12-9-13-10/h2-3,6-7,9H,4-5,8H2,1H3,(H,12,13).
What are the key properties of N-(furan-2-ylmethyl)-2-(1H-imidazol-5-yl)-N-methylethanamine?
N-(furan-2-ylmethyl)-2-(1H-imidazol-5-yl)-N-methylethanamine has a molecular weight of 205.26 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-(1H-imidazol-5-yl)-N-methylethanamine is sourced from PubChem (CID 14712095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).