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

C9H19N3 — CID 79510265

IUPAC5-tert-butyl-1-ethyl-4,5-dihydroimidazol-2-amine
SMILESCCN1C(N)=NCC1C(C)(C)C
InChIInChI=1S/C9H19N3/c1-5-12-7(9(2,3)4)6-11-8(12)10/h7H,5-6H2,1-4H3,(H2,10,11)
InChIKeyWHJUJNXZEXDEPL-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.05
Rot. Bonds1

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

5-tert-butyl-1-ethyl-4,5-dihydroimidazol-2-amine (PubChem CID 79510265) has the molecular formula C9H19N3 and a molecular weight of 169.27 g/mol. Its IUPAC name is 5-tert-butyl-1-ethyl-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name5-tert-butyl-1-ethyl-4,5-dihydroimidazol-2-amine
PubChem CID79510265
Molecular FormulaC9H19N3
Molecular Weight169.27 g/mol
Exact Mass169.16
IUPAC Name5-tert-butyl-1-ethyl-4,5-dihydroimidazol-2-amine
SMILESCCN1C(N)=NCC1C(C)(C)C
InChIInChI=1S/C9H19N3/c1-5-12-7(9(2,3)4)6-11-8(12)10/h7H,5-6H2,1-4H3,(H2,10,11)
InChIKeyWHJUJNXZEXDEPL-UHFFFAOYSA-N
XLogP1.05
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5R)-5-butyl-1-(2,2-dimethylpropyl)-4,5-dihydroimidazol-2-amine
CID 23640880
(5S)-N,N,5-trimethyl-1-(3-methylbutyl)-4,5-dihydroimidazol-2-amine
CID 25102553
N,N,5-trimethyl-1-(3-methylbutyl)-4,5-dihydroimidazol-2-amine
CID 73757899
5-Butyl-1-(2,2-dimethylpropyl)-4,5-dihydroimidazol-2-amine
CID 73758923
1-Butyl-4-methyl-4,5-dihydro-1H-imidazol-2-amine
CID 45088430
1-Butyl-5-methyl-4,5-dihydro-1H-imidazol-2-amine
CID 45088437
1-Butyl-5-ethyl-4,5-dihydroimidazol-2-amine
CID 45089042
1-Hexan-3-yl-4,5-dihydroimidazol-2-amine
CID 57139646
(5S)-1-(3,3-dimethylbutyl)-5,6-dihydro-4H-pyrimidine-2,5-diamine
CID 58090049
N-(3,3-dimethylbutyl)-N,1-dimethyl-4,5-dihydroimidazol-2-amine
CID 59021808
N',3,3-trimethylpyrrolidine-1-carboximidamide
CID 79631762
4-Tert-butyl-1-ethyl-4,5-dihydroimidazole
CID 89231845

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-1-ethyl-4,5-dihydroimidazol-2-amine?
The IUPAC name of 5-tert-butyl-1-ethyl-4,5-dihydroimidazol-2-amine (CID 79510265) is 5-tert-butyl-1-ethyl-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for 5-tert-butyl-1-ethyl-4,5-dihydroimidazol-2-amine?
The canonical SMILES for 5-tert-butyl-1-ethyl-4,5-dihydroimidazol-2-amine is CCN1C(N)=NCC1C(C)(C)C.
What is the InChIKey of 5-tert-butyl-1-ethyl-4,5-dihydroimidazol-2-amine?
The InChIKey is WHJUJNXZEXDEPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3/c1-5-12-7(9(2,3)4)6-11-8(12)10/h7H,5-6H2,1-4H3,(H2,10,11).
What are the key properties of 5-tert-butyl-1-ethyl-4,5-dihydroimidazol-2-amine?
5-tert-butyl-1-ethyl-4,5-dihydroimidazol-2-amine has a molecular weight of 169.27 g/mol, XLogP of 1.05, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-1-ethyl-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 79510265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).