ethanamine;1H-imidazole

C7H18N4 — CID 174663104

IUPACethanamine;1H-imidazole
SMILESCCN.CCN.c1c[nH]cn1
InChIInChI=1S/C3H4N2.2C2H7N/c1-2-5-3-4-1;2*1-2-3/h1-3H,(H,4,5);2*2-3H2,1H3
InChIKeyGRWFKIVXIVGLRU-UHFFFAOYSA-N
MW158.25 g/mol
LogP0.34
Rot. Bonds

About ethanamine;1H-imidazole

ethanamine;1H-imidazole (PubChem CID 174663104) has the molecular formula C7H18N4 and a molecular weight of 158.25 g/mol. Its IUPAC name is ethanamine;1H-imidazole.

Molecular Properties

Compound Nameethanamine;1H-imidazole
PubChem CID174663104
Molecular FormulaC7H18N4
Molecular Weight158.25 g/mol
Exact Mass158.15
IUPAC Nameethanamine;1H-imidazole
SMILESCCN.CCN.c1c[nH]cn1
InChIInChI=1S/C3H4N2.2C2H7N/c1-2-5-3-4-1;2*1-2-3/h1-3H,(H,4,5);2*2-3H2,1H3
InChIKeyGRWFKIVXIVGLRU-UHFFFAOYSA-N
XLogP0.34
TPSA80.72 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.25
LogP ≤ 50.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethanamine;1H-imidazole?
The IUPAC name of ethanamine;1H-imidazole (CID 174663104) is ethanamine;1H-imidazole.
What is the SMILES notation for ethanamine;1H-imidazole?
The canonical SMILES for ethanamine;1H-imidazole is CCN.CCN.c1c[nH]cn1.
What is the InChIKey of ethanamine;1H-imidazole?
The InChIKey is GRWFKIVXIVGLRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4N2.2C2H7N/c1-2-5-3-4-1;2*1-2-3/h1-3H,(H,4,5);2*2-3H2,1H3.
What are the key properties of ethanamine;1H-imidazole?
ethanamine;1H-imidazole has a molecular weight of 158.25 g/mol, XLogP of 0.34, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethanamine;1H-imidazole is sourced from PubChem (CID 174663104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).