5-cyclohex-3-en-1-yl-1-methyl-4,5-dihydroimidazol-2-amine

C10H17N3 — CID 79510237

IUPAC5-cyclohex-3-en-1-yl-1-methyl-4,5-dihydroimidazol-2-amine
SMILESCN1C(N)=NCC1C1CC=CCC1
InChIInChI=1S/C10H17N3/c1-13-9(7-12-10(13)11)8-5-3-2-4-6-8/h2-3,8-9H,4-7H2,1H3,(H2,11,12)
InChIKeyKGTYMHWPRJZQBO-UHFFFAOYSA-N
MW179.27 g/mol
LogP0.97
Rot. Bonds1

About 5-cyclohex-3-en-1-yl-1-methyl-4,5-dihydroimidazol-2-amine

5-cyclohex-3-en-1-yl-1-methyl-4,5-dihydroimidazol-2-amine (PubChem CID 79510237) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is 5-cyclohex-3-en-1-yl-1-methyl-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name5-cyclohex-3-en-1-yl-1-methyl-4,5-dihydroimidazol-2-amine
PubChem CID79510237
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name5-cyclohex-3-en-1-yl-1-methyl-4,5-dihydroimidazol-2-amine
SMILESCN1C(N)=NCC1C1CC=CCC1
InChIInChI=1S/C10H17N3/c1-13-9(7-12-10(13)11)8-5-3-2-4-6-8/h2-3,8-9H,4-7H2,1H3,(H2,11,12)
InChIKeyKGTYMHWPRJZQBO-UHFFFAOYSA-N
XLogP0.97
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-methyl-4,5-dihydroimidazol-2-amine?
The IUPAC name of 5-cyclohex-3-en-1-yl-1-methyl-4,5-dihydroimidazol-2-amine (CID 79510237) is 5-cyclohex-3-en-1-yl-1-methyl-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for 5-cyclohex-3-en-1-yl-1-methyl-4,5-dihydroimidazol-2-amine?
The canonical SMILES for 5-cyclohex-3-en-1-yl-1-methyl-4,5-dihydroimidazol-2-amine is CN1C(N)=NCC1C1CC=CCC1.
What is the InChIKey of 5-cyclohex-3-en-1-yl-1-methyl-4,5-dihydroimidazol-2-amine?
The InChIKey is KGTYMHWPRJZQBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-13-9(7-12-10(13)11)8-5-3-2-4-6-8/h2-3,8-9H,4-7H2,1H3,(H2,11,12).
What are the key properties of 5-cyclohex-3-en-1-yl-1-methyl-4,5-dihydroimidazol-2-amine?
5-cyclohex-3-en-1-yl-1-methyl-4,5-dihydroimidazol-2-amine has a molecular weight of 179.27 g/mol, XLogP of 0.97, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohex-3-en-1-yl-1-methyl-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 79510237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).