1-tert-butyl-4,5-dihydroimidazol-2-amine

C7H15N3 — CID 20619857

IUPAC1-tert-butyl-4,5-dihydroimidazol-2-amine
SMILESCC(C)(C)N1CCN=C1N
InChIInChI=1S/C7H15N3/c1-7(2,3)10-5-4-9-6(10)8/h4-5H2,1-3H3,(H2,8,9)
InChIKeyHADAYRZNYWVGPM-UHFFFAOYSA-N
MW141.22 g/mol
LogP0.42
Rot. Bonds

About 1-tert-butyl-4,5-dihydroimidazol-2-amine

1-tert-butyl-4,5-dihydroimidazol-2-amine (PubChem CID 20619857) has the molecular formula C7H15N3 and a molecular weight of 141.22 g/mol. Its IUPAC name is 1-tert-butyl-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name1-tert-butyl-4,5-dihydroimidazol-2-amine
PubChem CID20619857
Molecular FormulaC7H15N3
Molecular Weight141.22 g/mol
Exact Mass141.13
IUPAC Name1-tert-butyl-4,5-dihydroimidazol-2-amine
SMILESCC(C)(C)N1CCN=C1N
InChIInChI=1S/C7H15N3/c1-7(2,3)10-5-4-9-6(10)8/h4-5H2,1-3H3,(H2,8,9)
InChIKeyHADAYRZNYWVGPM-UHFFFAOYSA-N
XLogP0.42
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.22
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4,5-dihydroimidazol-2-amine?
The IUPAC name of 1-tert-butyl-4,5-dihydroimidazol-2-amine (CID 20619857) is 1-tert-butyl-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for 1-tert-butyl-4,5-dihydroimidazol-2-amine?
The canonical SMILES for 1-tert-butyl-4,5-dihydroimidazol-2-amine is CC(C)(C)N1CCN=C1N.
What is the InChIKey of 1-tert-butyl-4,5-dihydroimidazol-2-amine?
The InChIKey is HADAYRZNYWVGPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3/c1-7(2,3)10-5-4-9-6(10)8/h4-5H2,1-3H3,(H2,8,9).
What are the key properties of 1-tert-butyl-4,5-dihydroimidazol-2-amine?
1-tert-butyl-4,5-dihydroimidazol-2-amine has a molecular weight of 141.22 g/mol, XLogP of 0.42, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 20619857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).