2-[4-[(furan-2-ylmethylamino)methyl]imidazol-1-yl]ethanamine

C11H16N4O — CID 107500713

IUPAC2-[4-[(furan-2-ylmethylamino)methyl]imidazol-1-yl]ethanamine
SMILESNCCn1cnc(CNCc2ccco2)c1
InChIInChI=1S/C11H16N4O/c12-3-4-15-8-10(14-9-15)6-13-7-11-2-1-5-16-11/h1-2,5,8-9,13H,3-4,6-7,12H2
InChIKeyOEWNLPNZNAWTFQ-UHFFFAOYSA-N
MW220.28 g/mol
LogP0.72
Rot. Bonds6

About 2-[4-[(furan-2-ylmethylamino)methyl]imidazol-1-yl]ethanamine

2-[4-[(furan-2-ylmethylamino)methyl]imidazol-1-yl]ethanamine (PubChem CID 107500713) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is 2-[4-[(furan-2-ylmethylamino)methyl]imidazol-1-yl]ethanamine.

Molecular Properties

Compound Name2-[4-[(furan-2-ylmethylamino)methyl]imidazol-1-yl]ethanamine
PubChem CID107500713
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC Name2-[4-[(furan-2-ylmethylamino)methyl]imidazol-1-yl]ethanamine
SMILESNCCn1cnc(CNCc2ccco2)c1
InChIInChI=1S/C11H16N4O/c12-3-4-15-8-10(14-9-15)6-13-7-11-2-1-5-16-11/h1-2,5,8-9,13H,3-4,6-7,12H2
InChIKeyOEWNLPNZNAWTFQ-UHFFFAOYSA-N
XLogP0.72
TPSA69.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

potassium 4-[[4-[(furan-2-ylmethylamino)methyl]imidazol-1-yl]methyl]benzoate
CID 68822538
N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-2,3-dimethylbutan-1-amine
CID 107501008
N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-3,3,3-trifluoropropan-1-amine
CID 107500936
2-(benzimidazol-1-yl)-N-(furan-2-ylmethyl)ethanamine
CID 55023371
N'-(furan-2-ylmethyl)hexane-1,6-diamine
CID 61150200
1-(furan-2-yl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)methanamine
CID 78977028
N-(furan-2-ylmethyl)-1-(2-methylpyrazol-3-yl)methanamine
CID 19626581
5-(aminomethyl)-1-(furan-2-ylmethyl)pyrimidin-4-one
CID 115114560
1-[4-[(furan-2-ylmethylamino)methyl]-1,3-thiazol-2-yl]ethanamine
CID 66390753
1-(2-aminoethyl)imidazol-4-amine
CID 96848259
N-(furan-2-ylmethyl)-3-imidazol-1-ylpropan-1-amine
CID 17156294
1-(furan-2-yl)-N-[(1-propylindol-3-yl)methyl]methanamine
CID 94074131

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(furan-2-ylmethylamino)methyl]imidazol-1-yl]ethanamine?
The IUPAC name of 2-[4-[(furan-2-ylmethylamino)methyl]imidazol-1-yl]ethanamine (CID 107500713) is 2-[4-[(furan-2-ylmethylamino)methyl]imidazol-1-yl]ethanamine.
What is the SMILES notation for 2-[4-[(furan-2-ylmethylamino)methyl]imidazol-1-yl]ethanamine?
The canonical SMILES for 2-[4-[(furan-2-ylmethylamino)methyl]imidazol-1-yl]ethanamine is NCCn1cnc(CNCc2ccco2)c1.
What is the InChIKey of 2-[4-[(furan-2-ylmethylamino)methyl]imidazol-1-yl]ethanamine?
The InChIKey is OEWNLPNZNAWTFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O/c12-3-4-15-8-10(14-9-15)6-13-7-11-2-1-5-16-11/h1-2,5,8-9,13H,3-4,6-7,12H2.
What are the key properties of 2-[4-[(furan-2-ylmethylamino)methyl]imidazol-1-yl]ethanamine?
2-[4-[(furan-2-ylmethylamino)methyl]imidazol-1-yl]ethanamine has a molecular weight of 220.28 g/mol, XLogP of 0.72, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(furan-2-ylmethylamino)methyl]imidazol-1-yl]ethanamine is sourced from PubChem (CID 107500713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).