1-(2-methylprop-2-enyl)-4,5-dihydroimidazol-2-amine

C7H13N3 — CID 57221248

IUPAC1-(2-methylprop-2-enyl)-4,5-dihydroimidazol-2-amine
SMILESC=C(C)CN1CCN=C1N
InChIInChI=1S/C7H13N3/c1-6(2)5-10-4-3-9-7(10)8/h1,3-5H2,2H3,(H2,8,9)
InChIKeyVRHGNYWQXGQWIR-UHFFFAOYSA-N
MW139.20 g/mol
LogP0.19
Rot. Bonds2

About 1-(2-methylprop-2-enyl)-4,5-dihydroimidazol-2-amine

1-(2-methylprop-2-enyl)-4,5-dihydroimidazol-2-amine (PubChem CID 57221248) has the molecular formula C7H13N3 and a molecular weight of 139.20 g/mol. Its IUPAC name is 1-(2-methylprop-2-enyl)-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name1-(2-methylprop-2-enyl)-4,5-dihydroimidazol-2-amine
PubChem CID57221248
Molecular FormulaC7H13N3
Molecular Weight139.20 g/mol
Exact Mass139.11
IUPAC Name1-(2-methylprop-2-enyl)-4,5-dihydroimidazol-2-amine
SMILESC=C(C)CN1CCN=C1N
InChIInChI=1S/C7H13N3/c1-6(2)5-10-4-3-9-7(10)8/h1,3-5H2,2H3,(H2,8,9)
InChIKeyVRHGNYWQXGQWIR-UHFFFAOYSA-N
XLogP0.19
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-Allyl-4,5-dihydro-1H-imidazol-2-amine
CID 68852808
1-(2-Methylprop-2-enyl)-4,5-dihydroimidazole
CID 70466403
N'-cyano-3-methyl-2,5-dihydropyrrole-1-carboximidamide
CID 118593779
2-Carbamimidoyl-1-methyl-1-(2-methylprop-2-enyl)guanidine
CID 176527733
1-[2-[Ethyl(propyl)amino]ethyl]-2-(2-methylprop-2-enyl)guanidine
CID 111600598
N-(2-methylprop-2-enyl)-4,5-dihydro-1H-imidazol-2-amine
CID 114616713

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylprop-2-enyl)-4,5-dihydroimidazol-2-amine?
The IUPAC name of 1-(2-methylprop-2-enyl)-4,5-dihydroimidazol-2-amine (CID 57221248) is 1-(2-methylprop-2-enyl)-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for 1-(2-methylprop-2-enyl)-4,5-dihydroimidazol-2-amine?
The canonical SMILES for 1-(2-methylprop-2-enyl)-4,5-dihydroimidazol-2-amine is C=C(C)CN1CCN=C1N.
What is the InChIKey of 1-(2-methylprop-2-enyl)-4,5-dihydroimidazol-2-amine?
The InChIKey is VRHGNYWQXGQWIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3/c1-6(2)5-10-4-3-9-7(10)8/h1,3-5H2,2H3,(H2,8,9).
What are the key properties of 1-(2-methylprop-2-enyl)-4,5-dihydroimidazol-2-amine?
1-(2-methylprop-2-enyl)-4,5-dihydroimidazol-2-amine has a molecular weight of 139.20 g/mol, XLogP of 0.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylprop-2-enyl)-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 57221248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).