(1R)-1-[3-[1-(5-methylfuran-2-yl)ethyl]imidazol-4-yl]ethanamine

C12H17N3O — CID 104942505

IUPAC(1R)-1-[3-[1-(5-methylfuran-2-yl)ethyl]imidazol-4-yl]ethanamine
SMILESCc1ccc(C(C)n2cncc2[C@@H](C)N)o1
InChIInChI=1S/C12H17N3O/c1-8-4-5-12(16-8)10(3)15-7-14-6-11(15)9(2)13/h4-7,9-10H,13H2,1-3H3/t9-,10?/m1/s1
InChIKeyOAITWTBDPYQVOC-YHMJZVADSA-N
MW219.29 g/mol
LogP2.41
Rot. Bonds3

About (1R)-1-[3-[1-(5-methylfuran-2-yl)ethyl]imidazol-4-yl]ethanamine

(1R)-1-[3-[1-(5-methylfuran-2-yl)ethyl]imidazol-4-yl]ethanamine (PubChem CID 104942505) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is (1R)-1-[3-[1-(5-methylfuran-2-yl)ethyl]imidazol-4-yl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[3-[1-(5-methylfuran-2-yl)ethyl]imidazol-4-yl]ethanamine
PubChem CID104942505
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name(1R)-1-[3-[1-(5-methylfuran-2-yl)ethyl]imidazol-4-yl]ethanamine
SMILESCc1ccc(C(C)n2cncc2[C@@H](C)N)o1
InChIInChI=1S/C12H17N3O/c1-8-4-5-12(16-8)10(3)15-7-14-6-11(15)9(2)13/h4-7,9-10H,13H2,1-3H3/t9-,10?/m1/s1
InChIKeyOAITWTBDPYQVOC-YHMJZVADSA-N
XLogP2.41
TPSA56.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-[1-(5-methylfuran-2-yl)ethyl]imidazol-4-yl]ethanamine?
The IUPAC name of (1R)-1-[3-[1-(5-methylfuran-2-yl)ethyl]imidazol-4-yl]ethanamine (CID 104942505) is (1R)-1-[3-[1-(5-methylfuran-2-yl)ethyl]imidazol-4-yl]ethanamine.
What is the SMILES notation for (1R)-1-[3-[1-(5-methylfuran-2-yl)ethyl]imidazol-4-yl]ethanamine?
The canonical SMILES for (1R)-1-[3-[1-(5-methylfuran-2-yl)ethyl]imidazol-4-yl]ethanamine is Cc1ccc(C(C)n2cncc2[C@@H](C)N)o1.
What is the InChIKey of (1R)-1-[3-[1-(5-methylfuran-2-yl)ethyl]imidazol-4-yl]ethanamine?
The InChIKey is OAITWTBDPYQVOC-YHMJZVADSA-N. The full InChI is InChI=1S/C12H17N3O/c1-8-4-5-12(16-8)10(3)15-7-14-6-11(15)9(2)13/h4-7,9-10H,13H2,1-3H3/t9-,10?/m1/s1.
What are the key properties of (1R)-1-[3-[1-(5-methylfuran-2-yl)ethyl]imidazol-4-yl]ethanamine?
(1R)-1-[3-[1-(5-methylfuran-2-yl)ethyl]imidazol-4-yl]ethanamine has a molecular weight of 219.29 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[3-[1-(5-methylfuran-2-yl)ethyl]imidazol-4-yl]ethanamine is sourced from PubChem (CID 104942505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).