5-[(3,5,5-trimethylcyclohex-2-en-1-yl)methyl]-4,5-dihydro-1H-imidazole

C13H22N2 — CID 66659577

IUPAC5-[(3,5,5-trimethylcyclohex-2-en-1-yl)methyl]-4,5-dihydro-1H-imidazole
SMILESCC1=CC(CC2CN=CN2)CC(C)(C)C1
InChIInChI=1S/C13H22N2/c1-10-4-11(7-13(2,3)6-10)5-12-8-14-9-15-12/h4,9,11-12H,5-8H2,1-3H3,(H,14,15)
InChIKeyUOSAKMWNKIQCKJ-UHFFFAOYSA-N
MW206.33 g/mol
LogP2.76
Rot. Bonds2

About 5-[(3,5,5-trimethylcyclohex-2-en-1-yl)methyl]-4,5-dihydro-1H-imidazole

5-[(3,5,5-trimethylcyclohex-2-en-1-yl)methyl]-4,5-dihydro-1H-imidazole (PubChem CID 66659577) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is 5-[(3,5,5-trimethylcyclohex-2-en-1-yl)methyl]-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name5-[(3,5,5-trimethylcyclohex-2-en-1-yl)methyl]-4,5-dihydro-1H-imidazole
PubChem CID66659577
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name5-[(3,5,5-trimethylcyclohex-2-en-1-yl)methyl]-4,5-dihydro-1H-imidazole
SMILESCC1=CC(CC2CN=CN2)CC(C)(C)C1
InChIInChI=1S/C13H22N2/c1-10-4-11(7-13(2,3)6-10)5-12-8-14-9-15-12/h4,9,11-12H,5-8H2,1-3H3,(H,14,15)
InChIKeyUOSAKMWNKIQCKJ-UHFFFAOYSA-N
XLogP2.76
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-[(3,5,5-trimethylcyclohex-2-en-1-yl)methyl]-4,5-dihydro-1H-imidazole?
The IUPAC name of 5-[(3,5,5-trimethylcyclohex-2-en-1-yl)methyl]-4,5-dihydro-1H-imidazole (CID 66659577) is 5-[(3,5,5-trimethylcyclohex-2-en-1-yl)methyl]-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 5-[(3,5,5-trimethylcyclohex-2-en-1-yl)methyl]-4,5-dihydro-1H-imidazole?
The canonical SMILES for 5-[(3,5,5-trimethylcyclohex-2-en-1-yl)methyl]-4,5-dihydro-1H-imidazole is CC1=CC(CC2CN=CN2)CC(C)(C)C1.
What is the InChIKey of 5-[(3,5,5-trimethylcyclohex-2-en-1-yl)methyl]-4,5-dihydro-1H-imidazole?
The InChIKey is UOSAKMWNKIQCKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c1-10-4-11(7-13(2,3)6-10)5-12-8-14-9-15-12/h4,9,11-12H,5-8H2,1-3H3,(H,14,15).
What are the key properties of 5-[(3,5,5-trimethylcyclohex-2-en-1-yl)methyl]-4,5-dihydro-1H-imidazole?
5-[(3,5,5-trimethylcyclohex-2-en-1-yl)methyl]-4,5-dihydro-1H-imidazole has a molecular weight of 206.33 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,5,5-trimethylcyclohex-2-en-1-yl)methyl]-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 66659577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).