1-(4,5-dihydro-1H-imidazol-2-yl)ethanamine

C5H11N3 — CID 21242212

IUPAC1-(4,5-dihydro-1H-imidazol-2-yl)ethanamine
SMILESCC(N)C1=NCCN1
InChIInChI=1S/C5H11N3/c1-4(6)5-7-2-3-8-5/h4H,2-3,6H2,1H3,(H,7,8)
InChIKeyFJXILFHTWZGIGF-UHFFFAOYSA-N
MW113.16 g/mol
LogP-0.66
Rot. Bonds1

About 1-(4,5-dihydro-1H-imidazol-2-yl)ethanamine

1-(4,5-dihydro-1H-imidazol-2-yl)ethanamine (PubChem CID 21242212) has the molecular formula C5H11N3 and a molecular weight of 113.16 g/mol. Its IUPAC name is 1-(4,5-dihydro-1H-imidazol-2-yl)ethanamine.

Molecular Properties

Compound Name1-(4,5-dihydro-1H-imidazol-2-yl)ethanamine
PubChem CID21242212
Molecular FormulaC5H11N3
Molecular Weight113.16 g/mol
Exact Mass113.10
IUPAC Name1-(4,5-dihydro-1H-imidazol-2-yl)ethanamine
SMILESCC(N)C1=NCCN1
InChIInChI=1S/C5H11N3/c1-4(6)5-7-2-3-8-5/h4H,2-3,6H2,1H3,(H,7,8)
InChIKeyFJXILFHTWZGIGF-UHFFFAOYSA-N
XLogP-0.66
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 5-0.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dihydro-1H-imidazol-2-yl)ethanamine?
The IUPAC name of 1-(4,5-dihydro-1H-imidazol-2-yl)ethanamine (CID 21242212) is 1-(4,5-dihydro-1H-imidazol-2-yl)ethanamine.
What is the SMILES notation for 1-(4,5-dihydro-1H-imidazol-2-yl)ethanamine?
The canonical SMILES for 1-(4,5-dihydro-1H-imidazol-2-yl)ethanamine is CC(N)C1=NCCN1.
What is the InChIKey of 1-(4,5-dihydro-1H-imidazol-2-yl)ethanamine?
The InChIKey is FJXILFHTWZGIGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N3/c1-4(6)5-7-2-3-8-5/h4H,2-3,6H2,1H3,(H,7,8).
What are the key properties of 1-(4,5-dihydro-1H-imidazol-2-yl)ethanamine?
1-(4,5-dihydro-1H-imidazol-2-yl)ethanamine has a molecular weight of 113.16 g/mol, XLogP of -0.66, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dihydro-1H-imidazol-2-yl)ethanamine is sourced from PubChem (CID 21242212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).