3-(cyclohex-2-en-1-ylmethyl)-2-propan-2-yl-1,2-dihydroimidazole

C13H22N2 — CID 121441041

IUPAC3-(cyclohex-2-en-1-ylmethyl)-2-propan-2-yl-1,2-dihydroimidazole
SMILESCC(C)C1NC=CN1CC1C=CCCC1
InChIInChI=1S/C13H22N2/c1-11(2)13-14-8-9-15(13)10-12-6-4-3-5-7-12/h4,6,8-9,11-14H,3,5,7,10H2,1-2H3
InChIKeyQCSAHXBVMOWGCX-UHFFFAOYSA-N
MW206.33 g/mol
LogP2.70
Rot. Bonds3

About 3-(cyclohex-2-en-1-ylmethyl)-2-propan-2-yl-1,2-dihydroimidazole

3-(cyclohex-2-en-1-ylmethyl)-2-propan-2-yl-1,2-dihydroimidazole (PubChem CID 121441041) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is 3-(cyclohex-2-en-1-ylmethyl)-2-propan-2-yl-1,2-dihydroimidazole.

Molecular Properties

Compound Name3-(cyclohex-2-en-1-ylmethyl)-2-propan-2-yl-1,2-dihydroimidazole
PubChem CID121441041
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name3-(cyclohex-2-en-1-ylmethyl)-2-propan-2-yl-1,2-dihydroimidazole
SMILESCC(C)C1NC=CN1CC1C=CCCC1
InChIInChI=1S/C13H22N2/c1-11(2)13-14-8-9-15(13)10-12-6-4-3-5-7-12/h4,6,8-9,11-14H,3,5,7,10H2,1-2H3
InChIKeyQCSAHXBVMOWGCX-UHFFFAOYSA-N
XLogP2.70
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 52.70
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 3-(cyclohex-2-en-1-ylmethyl)-2-propan-2-yl-1,2-dihydroimidazole?
The IUPAC name of 3-(cyclohex-2-en-1-ylmethyl)-2-propan-2-yl-1,2-dihydroimidazole (CID 121441041) is 3-(cyclohex-2-en-1-ylmethyl)-2-propan-2-yl-1,2-dihydroimidazole.
What is the SMILES notation for 3-(cyclohex-2-en-1-ylmethyl)-2-propan-2-yl-1,2-dihydroimidazole?
The canonical SMILES for 3-(cyclohex-2-en-1-ylmethyl)-2-propan-2-yl-1,2-dihydroimidazole is CC(C)C1NC=CN1CC1C=CCCC1.
What is the InChIKey of 3-(cyclohex-2-en-1-ylmethyl)-2-propan-2-yl-1,2-dihydroimidazole?
The InChIKey is QCSAHXBVMOWGCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c1-11(2)13-14-8-9-15(13)10-12-6-4-3-5-7-12/h4,6,8-9,11-14H,3,5,7,10H2,1-2H3.
What are the key properties of 3-(cyclohex-2-en-1-ylmethyl)-2-propan-2-yl-1,2-dihydroimidazole?
3-(cyclohex-2-en-1-ylmethyl)-2-propan-2-yl-1,2-dihydroimidazole has a molecular weight of 206.33 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohex-2-en-1-ylmethyl)-2-propan-2-yl-1,2-dihydroimidazole is sourced from PubChem (CID 121441041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).