5-tert-butyl-1-[2-(diethylamino)ethyl]-4,5-dihydroimidazol-2-amine

C13H28N4 — CID 79514086

IUPAC5-tert-butyl-1-[2-(diethylamino)ethyl]-4,5-dihydroimidazol-2-amine
SMILESCCN(CC)CCN1C(N)=NCC1C(C)(C)C
InChIInChI=1S/C13H28N4/c1-6-16(7-2)8-9-17-11(13(3,4)5)10-15-12(17)14/h11H,6-10H2,1-5H3,(H2,14,15)
InChIKeyCPLRUJAOIDGFPO-UHFFFAOYSA-N
MW240.39 g/mol
LogP1.37
Rot. Bonds5

About 5-tert-butyl-1-[2-(diethylamino)ethyl]-4,5-dihydroimidazol-2-amine

5-tert-butyl-1-[2-(diethylamino)ethyl]-4,5-dihydroimidazol-2-amine (PubChem CID 79514086) has the molecular formula C13H28N4 and a molecular weight of 240.39 g/mol. Its IUPAC name is 5-tert-butyl-1-[2-(diethylamino)ethyl]-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name5-tert-butyl-1-[2-(diethylamino)ethyl]-4,5-dihydroimidazol-2-amine
PubChem CID79514086
Molecular FormulaC13H28N4
Molecular Weight240.39 g/mol
Exact Mass240.23
IUPAC Name5-tert-butyl-1-[2-(diethylamino)ethyl]-4,5-dihydroimidazol-2-amine
SMILESCCN(CC)CCN1C(N)=NCC1C(C)(C)C
InChIInChI=1S/C13H28N4/c1-6-16(7-2)8-9-17-11(13(3,4)5)10-15-12(17)14/h11H,6-10H2,1-5H3,(H2,14,15)
InChIKeyCPLRUJAOIDGFPO-UHFFFAOYSA-N
XLogP1.37
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-1-[2-(diethylamino)ethyl]-4,5-dihydroimidazol-2-amine?
The IUPAC name of 5-tert-butyl-1-[2-(diethylamino)ethyl]-4,5-dihydroimidazol-2-amine (CID 79514086) is 5-tert-butyl-1-[2-(diethylamino)ethyl]-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for 5-tert-butyl-1-[2-(diethylamino)ethyl]-4,5-dihydroimidazol-2-amine?
The canonical SMILES for 5-tert-butyl-1-[2-(diethylamino)ethyl]-4,5-dihydroimidazol-2-amine is CCN(CC)CCN1C(N)=NCC1C(C)(C)C.
What is the InChIKey of 5-tert-butyl-1-[2-(diethylamino)ethyl]-4,5-dihydroimidazol-2-amine?
The InChIKey is CPLRUJAOIDGFPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N4/c1-6-16(7-2)8-9-17-11(13(3,4)5)10-15-12(17)14/h11H,6-10H2,1-5H3,(H2,14,15).
What are the key properties of 5-tert-butyl-1-[2-(diethylamino)ethyl]-4,5-dihydroimidazol-2-amine?
5-tert-butyl-1-[2-(diethylamino)ethyl]-4,5-dihydroimidazol-2-amine has a molecular weight of 240.39 g/mol, XLogP of 1.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-1-[2-(diethylamino)ethyl]-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 79514086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).