3,5-bis(2-methylpropyl)-2-propan-2-ylimidazol-4-amine

C14H27N3 — CID 55048363

IUPAC3,5-bis(2-methylpropyl)-2-propan-2-ylimidazol-4-amine
SMILESCC(C)Cc1nc(C(C)C)n(CC(C)C)c1N
InChIInChI=1S/C14H27N3/c1-9(2)7-12-13(15)17(8-10(3)4)14(16-12)11(5)6/h9-11H,7-8,15H2,1-6H3
InChIKeyHSWACBWRJNGBQB-UHFFFAOYSA-N
MW237.39 g/mol
LogP3.44
Rot. Bonds5

About 3,5-bis(2-methylpropyl)-2-propan-2-ylimidazol-4-amine

3,5-bis(2-methylpropyl)-2-propan-2-ylimidazol-4-amine (PubChem CID 55048363) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is 3,5-bis(2-methylpropyl)-2-propan-2-ylimidazol-4-amine.

Molecular Properties

Compound Name3,5-bis(2-methylpropyl)-2-propan-2-ylimidazol-4-amine
PubChem CID55048363
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC Name3,5-bis(2-methylpropyl)-2-propan-2-ylimidazol-4-amine
SMILESCC(C)Cc1nc(C(C)C)n(CC(C)C)c1N
InChIInChI=1S/C14H27N3/c1-9(2)7-12-13(15)17(8-10(3)4)14(16-12)11(5)6/h9-11H,7-8,15H2,1-6H3
InChIKeyHSWACBWRJNGBQB-UHFFFAOYSA-N
XLogP3.44
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-bis(2-methylpropyl)-2-propan-2-ylimidazol-4-amine?
The IUPAC name of 3,5-bis(2-methylpropyl)-2-propan-2-ylimidazol-4-amine (CID 55048363) is 3,5-bis(2-methylpropyl)-2-propan-2-ylimidazol-4-amine.
What is the SMILES notation for 3,5-bis(2-methylpropyl)-2-propan-2-ylimidazol-4-amine?
The canonical SMILES for 3,5-bis(2-methylpropyl)-2-propan-2-ylimidazol-4-amine is CC(C)Cc1nc(C(C)C)n(CC(C)C)c1N.
What is the InChIKey of 3,5-bis(2-methylpropyl)-2-propan-2-ylimidazol-4-amine?
The InChIKey is HSWACBWRJNGBQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3/c1-9(2)7-12-13(15)17(8-10(3)4)14(16-12)11(5)6/h9-11H,7-8,15H2,1-6H3.
What are the key properties of 3,5-bis(2-methylpropyl)-2-propan-2-ylimidazol-4-amine?
3,5-bis(2-methylpropyl)-2-propan-2-ylimidazol-4-amine has a molecular weight of 237.39 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(2-methylpropyl)-2-propan-2-ylimidazol-4-amine is sourced from PubChem (CID 55048363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).