2-cyclohex-2-en-1-yl-4,4-dimethyl-6-methylidenequinoline

C18H21N — CID 140979490

IUPAC2-cyclohex-2-en-1-yl-4,4-dimethyl-6-methylidenequinoline
SMILESC=c1ccc2c(c1)C(C)(C)C=C(C1C=CCCC1)N=2
InChIInChI=1S/C18H21N/c1-13-9-10-16-15(11-13)18(2,3)12-17(19-16)14-7-5-4-6-8-14/h5,7,9-12,14H,1,4,6,8H2,2-3H3
InChIKeyCSKOXGIOPJJETQ-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.25
Rot. Bonds1

About 2-cyclohex-2-en-1-yl-4,4-dimethyl-6-methylidenequinoline

2-cyclohex-2-en-1-yl-4,4-dimethyl-6-methylidenequinoline (PubChem CID 140979490) has the molecular formula C18H21N and a molecular weight of 251.37 g/mol. Its IUPAC name is 2-cyclohex-2-en-1-yl-4,4-dimethyl-6-methylidenequinoline.

Molecular Properties

Compound Name2-cyclohex-2-en-1-yl-4,4-dimethyl-6-methylidenequinoline
PubChem CID140979490
Molecular FormulaC18H21N
Molecular Weight251.37 g/mol
Exact Mass251.17
IUPAC Name2-cyclohex-2-en-1-yl-4,4-dimethyl-6-methylidenequinoline
SMILESC=c1ccc2c(c1)C(C)(C)C=C(C1C=CCCC1)N=2
InChIInChI=1S/C18H21N/c1-13-9-10-16-15(11-13)18(2,3)12-17(19-16)14-7-5-4-6-8-14/h5,7,9-12,14H,1,4,6,8H2,2-3H3
InChIKeyCSKOXGIOPJJETQ-UHFFFAOYSA-N
XLogP3.25
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5,10-Dimethyl-5,6,10,14b-tetrahydrophenanthro[9,10-b]quinoxaline
CID 19362341
2,2,3-Trimethyl-4-propylcarbazole
CID 21480324
N-(6-methylcyclohexa-1,3-dien-1-yl)-6-methylidenecyclohex-2-en-1-imine
CID 68004378
(8aR)-8a-methyl-3,9-dihydro-2H-acridine
CID 68052702
(9aR)-2,9a-dimethyl-1H-acridine
CID 68274174
12,12-Dimethyl-10,12-dihydroindeno[2,1-b]carbazole
CID 86685012
12-Azapentacyclo[11.8.0.01,6.06,11.016,21]henicosa-2,4,7,9,11,13,15,17,19-nonaene
CID 87426054
1,1,2-Trimethyl-5,5a-dihydrobenzo[e]indole
CID 88892345
2-methyl-6-[(9Z,11E,13E)-15-methyl-14-tricyclo[6.6.2.04,16]hexadeca-1,5,9,11,13-pentaenyl]-3,4-dihydropyridine
CID 89431640
2,6,7-Trimethyl-4a,5-dihydroquinoline
CID 89961067
8-methyl-11-propan-2-yl-7H-cyclohepta[b]quinoline
CID 91090629
N-(3,7-dimethylocta-4,6-dien-4-yl)-4,6,6-trimethylcyclohex-2-en-1-imine
CID 123610926

Frequently Asked Questions

What is the IUPAC name of 2-cyclohex-2-en-1-yl-4,4-dimethyl-6-methylidenequinoline?
The IUPAC name of 2-cyclohex-2-en-1-yl-4,4-dimethyl-6-methylidenequinoline (CID 140979490) is 2-cyclohex-2-en-1-yl-4,4-dimethyl-6-methylidenequinoline.
What is the SMILES notation for 2-cyclohex-2-en-1-yl-4,4-dimethyl-6-methylidenequinoline?
The canonical SMILES for 2-cyclohex-2-en-1-yl-4,4-dimethyl-6-methylidenequinoline is C=c1ccc2c(c1)C(C)(C)C=C(C1C=CCCC1)N=2.
What is the InChIKey of 2-cyclohex-2-en-1-yl-4,4-dimethyl-6-methylidenequinoline?
The InChIKey is CSKOXGIOPJJETQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N/c1-13-9-10-16-15(11-13)18(2,3)12-17(19-16)14-7-5-4-6-8-14/h5,7,9-12,14H,1,4,6,8H2,2-3H3.
What are the key properties of 2-cyclohex-2-en-1-yl-4,4-dimethyl-6-methylidenequinoline?
2-cyclohex-2-en-1-yl-4,4-dimethyl-6-methylidenequinoline has a molecular weight of 251.37 g/mol, XLogP of 3.25, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohex-2-en-1-yl-4,4-dimethyl-6-methylidenequinoline is sourced from PubChem (CID 140979490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).