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

C5H11N3 — CID 91055920

IUPAC2-(2,5-dihydro-1H-imidazol-4-yl)ethanamine
SMILESNCCC1=NCNC1
InChIInChI=1S/C5H11N3/c6-2-1-5-3-7-4-8-5/h7H,1-4,6H2
InChIKeyQYVDNMWQRRKRNQ-UHFFFAOYSA-N
MW113.16 g/mol
LogP-0.66
Rot. Bonds2

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

2-(2,5-dihydro-1H-imidazol-4-yl)ethanamine (PubChem CID 91055920) has the molecular formula C5H11N3 and a molecular weight of 113.16 g/mol. Its IUPAC name is 2-(2,5-dihydro-1H-imidazol-4-yl)ethanamine.

Molecular Properties

Compound Name2-(2,5-dihydro-1H-imidazol-4-yl)ethanamine
PubChem CID91055920
Molecular FormulaC5H11N3
Molecular Weight113.16 g/mol
Exact Mass113.10
IUPAC Name2-(2,5-dihydro-1H-imidazol-4-yl)ethanamine
SMILESNCCC1=NCNC1
InChIInChI=1S/C5H11N3/c6-2-1-5-3-7-4-8-5/h7H,1-4,6H2
InChIKeyQYVDNMWQRRKRNQ-UHFFFAOYSA-N
XLogP-0.66
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
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 2-(2,5-dihydro-1H-imidazol-4-yl)ethanamine?
The IUPAC name of 2-(2,5-dihydro-1H-imidazol-4-yl)ethanamine (CID 91055920) is 2-(2,5-dihydro-1H-imidazol-4-yl)ethanamine.
What is the SMILES notation for 2-(2,5-dihydro-1H-imidazol-4-yl)ethanamine?
The canonical SMILES for 2-(2,5-dihydro-1H-imidazol-4-yl)ethanamine is NCCC1=NCNC1.
What is the InChIKey of 2-(2,5-dihydro-1H-imidazol-4-yl)ethanamine?
The InChIKey is QYVDNMWQRRKRNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N3/c6-2-1-5-3-7-4-8-5/h7H,1-4,6H2.
What are the key properties of 2-(2,5-dihydro-1H-imidazol-4-yl)ethanamine?
2-(2,5-dihydro-1H-imidazol-4-yl)ethanamine has a molecular weight of 113.16 g/mol, XLogP of -0.66, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dihydro-1H-imidazol-4-yl)ethanamine is sourced from PubChem (CID 91055920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).