5-butyl-3-methyl-2-propan-2-ylimidazol-4-amine

C11H21N3 — CID 62220138

IUPAC5-butyl-3-methyl-2-propan-2-ylimidazol-4-amine
SMILESCCCCc1nc(C(C)C)n(C)c1N
InChIInChI=1S/C11H21N3/c1-5-6-7-9-10(12)14(4)11(13-9)8(2)3/h8H,5-7,12H2,1-4H3
InChIKeyYJJVNVJPBXMQLN-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.47
Rot. Bonds4

About 5-butyl-3-methyl-2-propan-2-ylimidazol-4-amine

5-butyl-3-methyl-2-propan-2-ylimidazol-4-amine (PubChem CID 62220138) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is 5-butyl-3-methyl-2-propan-2-ylimidazol-4-amine.

Molecular Properties

Compound Name5-butyl-3-methyl-2-propan-2-ylimidazol-4-amine
PubChem CID62220138
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC Name5-butyl-3-methyl-2-propan-2-ylimidazol-4-amine
SMILESCCCCc1nc(C(C)C)n(C)c1N
InChIInChI=1S/C11H21N3/c1-5-6-7-9-10(12)14(4)11(13-9)8(2)3/h8H,5-7,12H2,1-4H3
InChIKeyYJJVNVJPBXMQLN-UHFFFAOYSA-N
XLogP2.47
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-butyl-3-methyl-2-propan-2-ylimidazol-4-amine?
The IUPAC name of 5-butyl-3-methyl-2-propan-2-ylimidazol-4-amine (CID 62220138) is 5-butyl-3-methyl-2-propan-2-ylimidazol-4-amine.
What is the SMILES notation for 5-butyl-3-methyl-2-propan-2-ylimidazol-4-amine?
The canonical SMILES for 5-butyl-3-methyl-2-propan-2-ylimidazol-4-amine is CCCCc1nc(C(C)C)n(C)c1N.
What is the InChIKey of 5-butyl-3-methyl-2-propan-2-ylimidazol-4-amine?
The InChIKey is YJJVNVJPBXMQLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3/c1-5-6-7-9-10(12)14(4)11(13-9)8(2)3/h8H,5-7,12H2,1-4H3.
What are the key properties of 5-butyl-3-methyl-2-propan-2-ylimidazol-4-amine?
5-butyl-3-methyl-2-propan-2-ylimidazol-4-amine has a molecular weight of 195.31 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-3-methyl-2-propan-2-ylimidazol-4-amine is sourced from PubChem (CID 62220138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).