5-cyclohex-3-en-1-yl-1-[2-(dimethylamino)ethyl]-4,5-dihydroimidazol-2-amine

C13H24N4 — CID 79497267

IUPAC5-cyclohex-3-en-1-yl-1-[2-(dimethylamino)ethyl]-4,5-dihydroimidazol-2-amine
SMILESCN(C)CCN1C(N)=NCC1C1CC=CCC1
InChIInChI=1S/C13H24N4/c1-16(2)8-9-17-12(10-15-13(17)14)11-6-4-3-5-7-11/h3-4,11-12H,5-10H2,1-2H3,(H2,14,15)
InChIKeyQPIOPUQUCJDUFX-UHFFFAOYSA-N
MW236.36 g/mol
LogP0.90
Rot. Bonds4

About 5-cyclohex-3-en-1-yl-1-[2-(dimethylamino)ethyl]-4,5-dihydroimidazol-2-amine

5-cyclohex-3-en-1-yl-1-[2-(dimethylamino)ethyl]-4,5-dihydroimidazol-2-amine (PubChem CID 79497267) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is 5-cyclohex-3-en-1-yl-1-[2-(dimethylamino)ethyl]-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name5-cyclohex-3-en-1-yl-1-[2-(dimethylamino)ethyl]-4,5-dihydroimidazol-2-amine
PubChem CID79497267
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC Name5-cyclohex-3-en-1-yl-1-[2-(dimethylamino)ethyl]-4,5-dihydroimidazol-2-amine
SMILESCN(C)CCN1C(N)=NCC1C1CC=CCC1
InChIInChI=1S/C13H24N4/c1-16(2)8-9-17-12(10-15-13(17)14)11-6-4-3-5-7-11/h3-4,11-12H,5-10H2,1-2H3,(H2,14,15)
InChIKeyQPIOPUQUCJDUFX-UHFFFAOYSA-N
XLogP0.90
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-cyclohex-3-en-1-yl-1-[2-(dimethylamino)ethyl]-4,5-dihydroimidazol-2-amine?
The IUPAC name of 5-cyclohex-3-en-1-yl-1-[2-(dimethylamino)ethyl]-4,5-dihydroimidazol-2-amine (CID 79497267) is 5-cyclohex-3-en-1-yl-1-[2-(dimethylamino)ethyl]-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for 5-cyclohex-3-en-1-yl-1-[2-(dimethylamino)ethyl]-4,5-dihydroimidazol-2-amine?
The canonical SMILES for 5-cyclohex-3-en-1-yl-1-[2-(dimethylamino)ethyl]-4,5-dihydroimidazol-2-amine is CN(C)CCN1C(N)=NCC1C1CC=CCC1.
What is the InChIKey of 5-cyclohex-3-en-1-yl-1-[2-(dimethylamino)ethyl]-4,5-dihydroimidazol-2-amine?
The InChIKey is QPIOPUQUCJDUFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-16(2)8-9-17-12(10-15-13(17)14)11-6-4-3-5-7-11/h3-4,11-12H,5-10H2,1-2H3,(H2,14,15).
What are the key properties of 5-cyclohex-3-en-1-yl-1-[2-(dimethylamino)ethyl]-4,5-dihydroimidazol-2-amine?
5-cyclohex-3-en-1-yl-1-[2-(dimethylamino)ethyl]-4,5-dihydroimidazol-2-amine has a molecular weight of 236.36 g/mol, XLogP of 0.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohex-3-en-1-yl-1-[2-(dimethylamino)ethyl]-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 79497267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).