3-tert-butyl-4,5-dihydro-1H-imidazol-3-ium-2-amine

C7H16N3+ — CID 21035882

IUPAC3-tert-butyl-4,5-dihydro-1H-imidazol-3-ium-2-amine
SMILESCC(C)(C)[N+]1=C(N)NCC1
InChIInChI=1S/C7H15N3/c1-7(2,3)10-5-4-9-6(10)8/h4-5H2,1-3H3,(H2,8,9)/p+1
InChIKeyHADAYRZNYWVGPM-UHFFFAOYSA-O
MW142.23 g/mol
LogP-0.28
Rot. Bonds

About 3-tert-butyl-4,5-dihydro-1H-imidazol-3-ium-2-amine

3-tert-butyl-4,5-dihydro-1H-imidazol-3-ium-2-amine (PubChem CID 21035882) has the molecular formula C7H16N3+ and a molecular weight of 142.23 g/mol. Its IUPAC name is 3-tert-butyl-4,5-dihydro-1H-imidazol-3-ium-2-amine.

Molecular Properties

Compound Name3-tert-butyl-4,5-dihydro-1H-imidazol-3-ium-2-amine
PubChem CID21035882
Molecular FormulaC7H16N3+
Molecular Weight142.23 g/mol
Exact Mass142.13
IUPAC Name3-tert-butyl-4,5-dihydro-1H-imidazol-3-ium-2-amine
SMILESCC(C)(C)[N+]1=C(N)NCC1
InChIInChI=1S/C7H15N3/c1-7(2,3)10-5-4-9-6(10)8/h4-5H2,1-3H3,(H2,8,9)/p+1
InChIKeyHADAYRZNYWVGPM-UHFFFAOYSA-O
XLogP-0.28
TPSA41.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.23
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

4,4-Dimethyl-2-imidazoline
CID 137537
5,5-dimethyl-4,5-dihydro-1H-imidazol-2-amine hydrobromide
CID 17851060
5-Methyl-4,5-dihydro-1H-imidazol-2-amine
CID 12443805
4,4-dimethyl-4,5-dihydro-1H-imidazol-2-amine
CID 17851061
1-tert-butyl-N-(2-fluoroethyl)-4,5-dihydroimidazol-2-amine
CID 126487885
N,N-diethyl-4,5-dihydro-1H-imidazol-2-amine
CID 233957
(4,4-Dimethyl(2-imidazolin-2-yl))dimethylamine
CID 4433485
1-Tert-butyl-4,5-dihydroimidazol-2-amine
CID 20619857
[(Tert-butylamino)-(diethylamino)methylidene]-diethylazanium
CID 53804038
N-tert-butyl-1-methyl-4,5-dihydroimidazol-2-amine
CID 58319955
[Amino-(tert-butylamino)methylidene]-dimethylazanium
CID 58320102
(5S)-5-methyl-4,5-dihydro-1H-imidazol-2-amine
CID 58868575

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-4,5-dihydro-1H-imidazol-3-ium-2-amine?
The IUPAC name of 3-tert-butyl-4,5-dihydro-1H-imidazol-3-ium-2-amine (CID 21035882) is 3-tert-butyl-4,5-dihydro-1H-imidazol-3-ium-2-amine.
What is the SMILES notation for 3-tert-butyl-4,5-dihydro-1H-imidazol-3-ium-2-amine?
The canonical SMILES for 3-tert-butyl-4,5-dihydro-1H-imidazol-3-ium-2-amine is CC(C)(C)[N+]1=C(N)NCC1.
What is the InChIKey of 3-tert-butyl-4,5-dihydro-1H-imidazol-3-ium-2-amine?
The InChIKey is HADAYRZNYWVGPM-UHFFFAOYSA-O. 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)/p+1.
What are the key properties of 3-tert-butyl-4,5-dihydro-1H-imidazol-3-ium-2-amine?
3-tert-butyl-4,5-dihydro-1H-imidazol-3-ium-2-amine has a molecular weight of 142.23 g/mol, XLogP of -0.28, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-4,5-dihydro-1H-imidazol-3-ium-2-amine is sourced from PubChem (CID 21035882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).