5-cyclohex-2-en-1-yl-6-cyclohex-3-en-1-yl-3-methyl-2,3,4,5-tetrahydropyridine

C18H27N — CID 142893781

IUPAC5-cyclohex-2-en-1-yl-6-cyclohex-3-en-1-yl-3-methyl-2,3,4,5-tetrahydropyridine
SMILESCC1CN=C(C2CC=CCC2)C(C2C=CCCC2)C1
InChIInChI=1S/C18H27N/c1-14-12-17(15-8-4-2-5-9-15)18(19-13-14)16-10-6-3-7-11-16/h3-4,6,8,14-17H,2,5,7,9-13H2,1H3
InChIKeyRKQRGWVULJTSFL-UHFFFAOYSA-N
MW257.42 g/mol
LogP4.80
Rot. Bonds2

About 5-cyclohex-2-en-1-yl-6-cyclohex-3-en-1-yl-3-methyl-2,3,4,5-tetrahydropyridine

5-cyclohex-2-en-1-yl-6-cyclohex-3-en-1-yl-3-methyl-2,3,4,5-tetrahydropyridine (PubChem CID 142893781) has the molecular formula C18H27N and a molecular weight of 257.42 g/mol. Its IUPAC name is 5-cyclohex-2-en-1-yl-6-cyclohex-3-en-1-yl-3-methyl-2,3,4,5-tetrahydropyridine.

Molecular Properties

Compound Name5-cyclohex-2-en-1-yl-6-cyclohex-3-en-1-yl-3-methyl-2,3,4,5-tetrahydropyridine
PubChem CID142893781
Molecular FormulaC18H27N
Molecular Weight257.42 g/mol
Exact Mass257.21
IUPAC Name5-cyclohex-2-en-1-yl-6-cyclohex-3-en-1-yl-3-methyl-2,3,4,5-tetrahydropyridine
SMILESCC1CN=C(C2CC=CCC2)C(C2C=CCCC2)C1
InChIInChI=1S/C18H27N/c1-14-12-17(15-8-4-2-5-9-15)18(19-13-14)16-10-6-3-7-11-16/h3-4,6,8,14-17H,2,5,7,9-13H2,1H3
InChIKeyRKQRGWVULJTSFL-UHFFFAOYSA-N
XLogP4.80
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 54.80
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

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(7R)-7-methyl-2,3,4,6,7,8-hexahydroquinoline
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1-Methyl-2-azaspiro[5.5]undeca-1,9-diene
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(4S)-5-methyl-4-[(Z)-tridec-5-enyl]-3,4-dihydro-2H-pyrrole
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(4S)-5-methyl-4-[(Z)-pentadec-7-enyl]-3,4-dihydro-2H-pyrrole
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3,4-Dihydro-5-methyl-4-[(7Z)-pentadecenyl]-2H-pyrrole
CID 5369018
5-[(2E)-1-tricyclo[9.2.2.02,10]pentadeca-2,12,14-trienyl]-3,4-dihydro-2H-pyrrole
CID 15920836
6-tert-butyl-5-[(E)-prop-1-enyl]-2,3,4,5-tetrahydropyridine
CID 20752812
6-Cyclohept-4-en-1-yl-2,3,4,5-tetrahydropyridine
CID 53724743
1,2,3,5,6,6a,10a,10b-Octahydrobenzo[f]quinoline
CID 53959657
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Frequently Asked Questions

What is the IUPAC name of 5-cyclohex-2-en-1-yl-6-cyclohex-3-en-1-yl-3-methyl-2,3,4,5-tetrahydropyridine?
The IUPAC name of 5-cyclohex-2-en-1-yl-6-cyclohex-3-en-1-yl-3-methyl-2,3,4,5-tetrahydropyridine (CID 142893781) is 5-cyclohex-2-en-1-yl-6-cyclohex-3-en-1-yl-3-methyl-2,3,4,5-tetrahydropyridine.
What is the SMILES notation for 5-cyclohex-2-en-1-yl-6-cyclohex-3-en-1-yl-3-methyl-2,3,4,5-tetrahydropyridine?
The canonical SMILES for 5-cyclohex-2-en-1-yl-6-cyclohex-3-en-1-yl-3-methyl-2,3,4,5-tetrahydropyridine is CC1CN=C(C2CC=CCC2)C(C2C=CCCC2)C1.
What is the InChIKey of 5-cyclohex-2-en-1-yl-6-cyclohex-3-en-1-yl-3-methyl-2,3,4,5-tetrahydropyridine?
The InChIKey is RKQRGWVULJTSFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N/c1-14-12-17(15-8-4-2-5-9-15)18(19-13-14)16-10-6-3-7-11-16/h3-4,6,8,14-17H,2,5,7,9-13H2,1H3.
What are the key properties of 5-cyclohex-2-en-1-yl-6-cyclohex-3-en-1-yl-3-methyl-2,3,4,5-tetrahydropyridine?
5-cyclohex-2-en-1-yl-6-cyclohex-3-en-1-yl-3-methyl-2,3,4,5-tetrahydropyridine has a molecular weight of 257.42 g/mol, XLogP of 4.80, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohex-2-en-1-yl-6-cyclohex-3-en-1-yl-3-methyl-2,3,4,5-tetrahydropyridine is sourced from PubChem (CID 142893781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).