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

C12H21N3 — CID 79509219

IUPAC5-cyclohex-3-en-1-yl-1-propan-2-yl-4,5-dihydroimidazol-2-amine
SMILESCC(C)N1C(N)=NCC1C1CC=CCC1
InChIInChI=1S/C12H21N3/c1-9(2)15-11(8-14-12(15)13)10-6-4-3-5-7-10/h3-4,9-11H,5-8H2,1-2H3,(H2,13,14)
InChIKeyFWLPSBJQYVYUHR-UHFFFAOYSA-N
MW207.32 g/mol
LogP1.75
Rot. Bonds2

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

5-cyclohex-3-en-1-yl-1-propan-2-yl-4,5-dihydroimidazol-2-amine (PubChem CID 79509219) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 5-cyclohex-3-en-1-yl-1-propan-2-yl-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name5-cyclohex-3-en-1-yl-1-propan-2-yl-4,5-dihydroimidazol-2-amine
PubChem CID79509219
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name5-cyclohex-3-en-1-yl-1-propan-2-yl-4,5-dihydroimidazol-2-amine
SMILESCC(C)N1C(N)=NCC1C1CC=CCC1
InChIInChI=1S/C12H21N3/c1-9(2)15-11(8-14-12(15)13)10-6-4-3-5-7-10/h3-4,9-11H,5-8H2,1-2H3,(H2,13,14)
InChIKeyFWLPSBJQYVYUHR-UHFFFAOYSA-N
XLogP1.75
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 51.75
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-propan-2-yl-4,5-dihydroimidazol-2-amine?
The IUPAC name of 5-cyclohex-3-en-1-yl-1-propan-2-yl-4,5-dihydroimidazol-2-amine (CID 79509219) is 5-cyclohex-3-en-1-yl-1-propan-2-yl-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for 5-cyclohex-3-en-1-yl-1-propan-2-yl-4,5-dihydroimidazol-2-amine?
The canonical SMILES for 5-cyclohex-3-en-1-yl-1-propan-2-yl-4,5-dihydroimidazol-2-amine is CC(C)N1C(N)=NCC1C1CC=CCC1.
What is the InChIKey of 5-cyclohex-3-en-1-yl-1-propan-2-yl-4,5-dihydroimidazol-2-amine?
The InChIKey is FWLPSBJQYVYUHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-9(2)15-11(8-14-12(15)13)10-6-4-3-5-7-10/h3-4,9-11H,5-8H2,1-2H3,(H2,13,14).
What are the key properties of 5-cyclohex-3-en-1-yl-1-propan-2-yl-4,5-dihydroimidazol-2-amine?
5-cyclohex-3-en-1-yl-1-propan-2-yl-4,5-dihydroimidazol-2-amine has a molecular weight of 207.32 g/mol, XLogP of 1.75, 2 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-propan-2-yl-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 79509219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).