2-(1H-imidazol-5-yl)ethanamine

C20H36N12 — CID 70094064

IUPAC2-(1H-imidazol-5-yl)ethanamine
SMILESNCCc1cnc[nH]1.NCCc1cnc[nH]1.NCCc1cnc[nH]1.NCCc1cnc[nH]1
InChIInChI=1S/4C5H9N3/c4*6-2-1-5-3-7-4-8-5/h4*3-4H,1-2,6H2,(H,7,8)
InChIKeyCZBMPIXTZMMLFQ-UHFFFAOYSA-N
MW444.59 g/mol
LogP-0.36
Rot. Bonds8

About 2-(1H-imidazol-5-yl)ethanamine

2-(1H-imidazol-5-yl)ethanamine (PubChem CID 70094064) has the molecular formula C20H36N12 and a molecular weight of 444.59 g/mol. Its IUPAC name is 2-(1H-imidazol-5-yl)ethanamine.

Molecular Properties

Compound Name2-(1H-imidazol-5-yl)ethanamine
PubChem CID70094064
Molecular FormulaC20H36N12
Molecular Weight444.59 g/mol
Exact Mass444.32
IUPAC Name2-(1H-imidazol-5-yl)ethanamine
SMILESNCCc1cnc[nH]1.NCCc1cnc[nH]1.NCCc1cnc[nH]1.NCCc1cnc[nH]1
InChIInChI=1S/4C5H9N3/c4*6-2-1-5-3-7-4-8-5/h4*3-4H,1-2,6H2,(H,7,8)
InChIKeyCZBMPIXTZMMLFQ-UHFFFAOYSA-N
XLogP-0.36
TPSA218.80 Ų
H-Bond Donors8
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.59
LogP ≤ 5-0.36
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-imidazol-5-yl)ethanamine?
The IUPAC name of 2-(1H-imidazol-5-yl)ethanamine (CID 70094064) is 2-(1H-imidazol-5-yl)ethanamine.
What is the SMILES notation for 2-(1H-imidazol-5-yl)ethanamine?
The canonical SMILES for 2-(1H-imidazol-5-yl)ethanamine is NCCc1cnc[nH]1.NCCc1cnc[nH]1.NCCc1cnc[nH]1.NCCc1cnc[nH]1.
What is the InChIKey of 2-(1H-imidazol-5-yl)ethanamine?
The InChIKey is CZBMPIXTZMMLFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/4C5H9N3/c4*6-2-1-5-3-7-4-8-5/h4*3-4H,1-2,6H2,(H,7,8).
What are the key properties of 2-(1H-imidazol-5-yl)ethanamine?
2-(1H-imidazol-5-yl)ethanamine has a molecular weight of 444.59 g/mol, XLogP of -0.36, 8 rotatable bonds, 8 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-imidazol-5-yl)ethanamine is sourced from PubChem (CID 70094064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).