acetaldehyde;1H-imidazole;2-(1H-imidazol-5-yl)ethanamine

C10H17N5O — CID 88937716

IUPACacetaldehyde;1H-imidazole;2-(1H-imidazol-5-yl)ethanamine
SMILESCC=O.NCCc1cnc[nH]1.c1c[nH]cn1
InChIInChI=1S/C5H9N3.C3H4N2.C2H4O/c6-2-1-5-3-7-4-8-5;1-2-5-3-4-1;1-2-3/h3-4H,1-2,6H2,(H,7,8);1-3H,(H,4,5);2H,1H3
InChIKeyJVBXUHDOBCDALN-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.53
Rot. Bonds2

About acetaldehyde;1H-imidazole;2-(1H-imidazol-5-yl)ethanamine

acetaldehyde;1H-imidazole;2-(1H-imidazol-5-yl)ethanamine (PubChem CID 88937716) has the molecular formula C10H17N5O and a molecular weight of 223.28 g/mol. Its IUPAC name is acetaldehyde;1H-imidazole;2-(1H-imidazol-5-yl)ethanamine.

Molecular Properties

Compound Nameacetaldehyde;1H-imidazole;2-(1H-imidazol-5-yl)ethanamine
PubChem CID88937716
Molecular FormulaC10H17N5O
Molecular Weight223.28 g/mol
Exact Mass223.14
IUPAC Nameacetaldehyde;1H-imidazole;2-(1H-imidazol-5-yl)ethanamine
SMILESCC=O.NCCc1cnc[nH]1.c1c[nH]cn1
InChIInChI=1S/C5H9N3.C3H4N2.C2H4O/c6-2-1-5-3-7-4-8-5;1-2-5-3-4-1;1-2-3/h3-4H,1-2,6H2,(H,7,8);1-3H,(H,4,5);2H,1H3
InChIKeyJVBXUHDOBCDALN-UHFFFAOYSA-N
XLogP0.53
TPSA100.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

ethane-1,2-diamine;2-(1H-imidazol-5-yl)ethanamine
CID 174826915
2-(1H-imidazol-5-yl)ethanamine;dihydrofluoride
CID 67652425
acetaldehyde;1H-imidazole
CID 22169426
chloro hypochlorite;2-(1H-imidazol-5-yl)ethanamine
CID 67432919
ethanamine;1H-imidazole
CID 174663104
4-(1H-imidazol-5-yl)butan-1-amine
CID 13499360
2-(1H-imidazol-5-yl)ethanamine;phenol
CID 67627701
2-amino-4-methylpentanoic acid;2-(1H-imidazol-5-yl)ethanamine
CID 174496093
5-(2-methylsulfanylethyl)-1H-imidazole
CID 141211352
(1S)-2-(1H-imidazol-5-yl)-1-tritioethanamine
CID 25239956
1H-imidazole;methanamine
CID 70022684
chloranium 1H-imidazole
CID 172826260

Frequently Asked Questions

What is the IUPAC name of acetaldehyde;1H-imidazole;2-(1H-imidazol-5-yl)ethanamine?
The IUPAC name of acetaldehyde;1H-imidazole;2-(1H-imidazol-5-yl)ethanamine (CID 88937716) is acetaldehyde;1H-imidazole;2-(1H-imidazol-5-yl)ethanamine.
What is the SMILES notation for acetaldehyde;1H-imidazole;2-(1H-imidazol-5-yl)ethanamine?
The canonical SMILES for acetaldehyde;1H-imidazole;2-(1H-imidazol-5-yl)ethanamine is CC=O.NCCc1cnc[nH]1.c1c[nH]cn1.
What is the InChIKey of acetaldehyde;1H-imidazole;2-(1H-imidazol-5-yl)ethanamine?
The InChIKey is JVBXUHDOBCDALN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3.C3H4N2.C2H4O/c6-2-1-5-3-7-4-8-5;1-2-5-3-4-1;1-2-3/h3-4H,1-2,6H2,(H,7,8);1-3H,(H,4,5);2H,1H3.
What are the key properties of acetaldehyde;1H-imidazole;2-(1H-imidazol-5-yl)ethanamine?
acetaldehyde;1H-imidazole;2-(1H-imidazol-5-yl)ethanamine has a molecular weight of 223.28 g/mol, XLogP of 0.53, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetaldehyde;1H-imidazole;2-(1H-imidazol-5-yl)ethanamine is sourced from PubChem (CID 88937716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).