4,5-ditert-butyl-1H-imidazol-2-amine

C11H21N3 — CID 139230318

IUPAC4,5-ditert-butyl-1H-imidazol-2-amine
SMILESCC(C)(C)c1nc(N)[nH]c1C(C)(C)C
InChIInChI=1S/C11H21N3/c1-10(2,3)7-8(11(4,5)6)14-9(12)13-7/h1-6H3,(H3,12,13,14)
InChIKeyXXMLYVMYLHSYFY-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.59
Rot. Bonds

About 4,5-ditert-butyl-1H-imidazol-2-amine

4,5-ditert-butyl-1H-imidazol-2-amine (PubChem CID 139230318) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is 4,5-ditert-butyl-1H-imidazol-2-amine.

Molecular Properties

Compound Name4,5-ditert-butyl-1H-imidazol-2-amine
PubChem CID139230318
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC Name4,5-ditert-butyl-1H-imidazol-2-amine
SMILESCC(C)(C)c1nc(N)[nH]c1C(C)(C)C
InChIInChI=1S/C11H21N3/c1-10(2,3)7-8(11(4,5)6)14-9(12)13-7/h1-6H3,(H3,12,13,14)
InChIKeyXXMLYVMYLHSYFY-UHFFFAOYSA-N
XLogP2.59
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,5-ditert-butyl-1H-imidazol-2-amine?
The IUPAC name of 4,5-ditert-butyl-1H-imidazol-2-amine (CID 139230318) is 4,5-ditert-butyl-1H-imidazol-2-amine.
What is the SMILES notation for 4,5-ditert-butyl-1H-imidazol-2-amine?
The canonical SMILES for 4,5-ditert-butyl-1H-imidazol-2-amine is CC(C)(C)c1nc(N)[nH]c1C(C)(C)C.
What is the InChIKey of 4,5-ditert-butyl-1H-imidazol-2-amine?
The InChIKey is XXMLYVMYLHSYFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3/c1-10(2,3)7-8(11(4,5)6)14-9(12)13-7/h1-6H3,(H3,12,13,14).
What are the key properties of 4,5-ditert-butyl-1H-imidazol-2-amine?
4,5-ditert-butyl-1H-imidazol-2-amine has a molecular weight of 195.31 g/mol, XLogP of 2.59, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-ditert-butyl-1H-imidazol-2-amine is sourced from PubChem (CID 139230318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).