1-amino-3-methylbutan-2-one;ethane;5-methyl-1H-imidazole

C11H23N3O — CID 142604256

IUPAC1-amino-3-methylbutan-2-one;ethane;5-methyl-1H-imidazole
SMILESCC.CC(C)C(=O)CN.Cc1cnc[nH]1
InChIInChI=1S/C5H11NO.C4H6N2.C2H6/c1-4(2)5(7)3-6;1-4-2-5-3-6-4;1-2/h4H,3,6H2,1-2H3;2-3H,1H3,(H,5,6);1-2H3
InChIKeyDTZPHNNPHJQZIK-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.91
Rot. Bonds2

About 1-amino-3-methylbutan-2-one;ethane;5-methyl-1H-imidazole

1-amino-3-methylbutan-2-one;ethane;5-methyl-1H-imidazole (PubChem CID 142604256) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is 1-amino-3-methylbutan-2-one;ethane;5-methyl-1H-imidazole.

Molecular Properties

Compound Name1-amino-3-methylbutan-2-one;ethane;5-methyl-1H-imidazole
PubChem CID142604256
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC Name1-amino-3-methylbutan-2-one;ethane;5-methyl-1H-imidazole
SMILESCC.CC(C)C(=O)CN.Cc1cnc[nH]1
InChIInChI=1S/C5H11NO.C4H6N2.C2H6/c1-4(2)5(7)3-6;1-4-2-5-3-6-4;1-2/h4H,3,6H2,1-2H3;2-3H,1H3,(H,5,6);1-2H3
InChIKeyDTZPHNNPHJQZIK-UHFFFAOYSA-N
XLogP1.91
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-amino-3-methylbutan-2-one;ethane;5-methyl-1H-imidazole?
The IUPAC name of 1-amino-3-methylbutan-2-one;ethane;5-methyl-1H-imidazole (CID 142604256) is 1-amino-3-methylbutan-2-one;ethane;5-methyl-1H-imidazole.
What is the SMILES notation for 1-amino-3-methylbutan-2-one;ethane;5-methyl-1H-imidazole?
The canonical SMILES for 1-amino-3-methylbutan-2-one;ethane;5-methyl-1H-imidazole is CC.CC(C)C(=O)CN.Cc1cnc[nH]1.
What is the InChIKey of 1-amino-3-methylbutan-2-one;ethane;5-methyl-1H-imidazole?
The InChIKey is DTZPHNNPHJQZIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO.C4H6N2.C2H6/c1-4(2)5(7)3-6;1-4-2-5-3-6-4;1-2/h4H,3,6H2,1-2H3;2-3H,1H3,(H,5,6);1-2H3.
What are the key properties of 1-amino-3-methylbutan-2-one;ethane;5-methyl-1H-imidazole?
1-amino-3-methylbutan-2-one;ethane;5-methyl-1H-imidazole has a molecular weight of 213.32 g/mol, XLogP of 1.91, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-methylbutan-2-one;ethane;5-methyl-1H-imidazole is sourced from PubChem (CID 142604256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).