1-[2-amino-4-[2-(methylamino)ethyl]imidazol-1-yl]butan-1-one

C10H18N4O — CID 149152230

IUPAC1-[2-amino-4-[2-(methylamino)ethyl]imidazol-1-yl]butan-1-one
SMILESCCCC(=O)n1cc(CCNC)nc1N
InChIInChI=1S/C10H18N4O/c1-3-4-9(15)14-7-8(5-6-12-2)13-10(14)11/h7,12H,3-6H2,1-2H3,(H2,11,13)
InChIKeyVIQCRVBROXQEHB-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.67
Rot. Bonds5

About 1-[2-amino-4-[2-(methylamino)ethyl]imidazol-1-yl]butan-1-one

1-[2-amino-4-[2-(methylamino)ethyl]imidazol-1-yl]butan-1-one (PubChem CID 149152230) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is 1-[2-amino-4-[2-(methylamino)ethyl]imidazol-1-yl]butan-1-one.

Molecular Properties

Compound Name1-[2-amino-4-[2-(methylamino)ethyl]imidazol-1-yl]butan-1-one
PubChem CID149152230
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Name1-[2-amino-4-[2-(methylamino)ethyl]imidazol-1-yl]butan-1-one
SMILESCCCC(=O)n1cc(CCNC)nc1N
InChIInChI=1S/C10H18N4O/c1-3-4-9(15)14-7-8(5-6-12-2)13-10(14)11/h7,12H,3-6H2,1-2H3,(H2,11,13)
InChIKeyVIQCRVBROXQEHB-UHFFFAOYSA-N
XLogP0.67
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-4-[2-(methylamino)ethyl]imidazol-1-yl]butan-1-one?
The IUPAC name of 1-[2-amino-4-[2-(methylamino)ethyl]imidazol-1-yl]butan-1-one (CID 149152230) is 1-[2-amino-4-[2-(methylamino)ethyl]imidazol-1-yl]butan-1-one.
What is the SMILES notation for 1-[2-amino-4-[2-(methylamino)ethyl]imidazol-1-yl]butan-1-one?
The canonical SMILES for 1-[2-amino-4-[2-(methylamino)ethyl]imidazol-1-yl]butan-1-one is CCCC(=O)n1cc(CCNC)nc1N.
What is the InChIKey of 1-[2-amino-4-[2-(methylamino)ethyl]imidazol-1-yl]butan-1-one?
The InChIKey is VIQCRVBROXQEHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-3-4-9(15)14-7-8(5-6-12-2)13-10(14)11/h7,12H,3-6H2,1-2H3,(H2,11,13).
What are the key properties of 1-[2-amino-4-[2-(methylamino)ethyl]imidazol-1-yl]butan-1-one?
1-[2-amino-4-[2-(methylamino)ethyl]imidazol-1-yl]butan-1-one has a molecular weight of 210.28 g/mol, XLogP of 0.67, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-4-[2-(methylamino)ethyl]imidazol-1-yl]butan-1-one is sourced from PubChem (CID 149152230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).