5-[(Z)-5-(2,6-dimethylcyclohexa-1,5-dien-1-yl)-3-methylidenepent-1-enyl]-4-ethyl-1-methyl-3,6-dihydro-2H-pyridine

C22H33N — CID 139353352

IUPAC5-[(Z)-5-(2,6-dimethylcyclohexa-1,5-dien-1-yl)-3-methylidenepent-1-enyl]-4-ethyl-1-methyl-3,6-dihydro-2H-pyridine
SMILESC=C(/C=C\C1=C(CC)CCN(C)C1)CCC1=C(C)CCC=C1C
InChIInChI=1S/C22H33N/c1-6-20-14-15-23(5)16-21(20)12-10-17(2)11-13-22-18(3)8-7-9-19(22)4/h8,10,12H,2,6-7,9,11,13-16H2,1,3-5H3/b12-10-
InChIKeyYJCKFOHDGQPHHU-BENRWUELSA-N
MW311.51 g/mol
LogP5.98
Rot. Bonds6

About 5-[(Z)-5-(2,6-dimethylcyclohexa-1,5-dien-1-yl)-3-methylidenepent-1-enyl]-4-ethyl-1-methyl-3,6-dihydro-2H-pyridine

5-[(Z)-5-(2,6-dimethylcyclohexa-1,5-dien-1-yl)-3-methylidenepent-1-enyl]-4-ethyl-1-methyl-3,6-dihydro-2H-pyridine (PubChem CID 139353352) has the molecular formula C22H33N and a molecular weight of 311.51 g/mol. Its IUPAC name is 5-[(Z)-5-(2,6-dimethylcyclohexa-1,5-dien-1-yl)-3-methylidenepent-1-enyl]-4-ethyl-1-methyl-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name5-[(Z)-5-(2,6-dimethylcyclohexa-1,5-dien-1-yl)-3-methylidenepent-1-enyl]-4-ethyl-1-methyl-3,6-dihydro-2H-pyridine
PubChem CID139353352
Molecular FormulaC22H33N
Molecular Weight311.51 g/mol
Exact Mass311.26
IUPAC Name5-[(Z)-5-(2,6-dimethylcyclohexa-1,5-dien-1-yl)-3-methylidenepent-1-enyl]-4-ethyl-1-methyl-3,6-dihydro-2H-pyridine
SMILESC=C(/C=C\C1=C(CC)CCN(C)C1)CCC1=C(C)CCC=C1C
InChIInChI=1S/C22H33N/c1-6-20-14-15-23(5)16-21(20)12-10-17(2)11-13-22-18(3)8-7-9-19(22)4/h8,10,12H,2,6-7,9,11,13-16H2,1,3-5H3/b12-10-
InChIKeyYJCKFOHDGQPHHU-BENRWUELSA-N
XLogP5.98
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.51
LogP ≤ 55.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-5-(2,6-dimethylcyclohexa-1,5-dien-1-yl)-3-methylidenepent-1-enyl]-4-ethyl-1-methyl-3,6-dihydro-2H-pyridine?
The IUPAC name of 5-[(Z)-5-(2,6-dimethylcyclohexa-1,5-dien-1-yl)-3-methylidenepent-1-enyl]-4-ethyl-1-methyl-3,6-dihydro-2H-pyridine (CID 139353352) is 5-[(Z)-5-(2,6-dimethylcyclohexa-1,5-dien-1-yl)-3-methylidenepent-1-enyl]-4-ethyl-1-methyl-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 5-[(Z)-5-(2,6-dimethylcyclohexa-1,5-dien-1-yl)-3-methylidenepent-1-enyl]-4-ethyl-1-methyl-3,6-dihydro-2H-pyridine?
The canonical SMILES for 5-[(Z)-5-(2,6-dimethylcyclohexa-1,5-dien-1-yl)-3-methylidenepent-1-enyl]-4-ethyl-1-methyl-3,6-dihydro-2H-pyridine is C=C(/C=C\C1=C(CC)CCN(C)C1)CCC1=C(C)CCC=C1C.
What is the InChIKey of 5-[(Z)-5-(2,6-dimethylcyclohexa-1,5-dien-1-yl)-3-methylidenepent-1-enyl]-4-ethyl-1-methyl-3,6-dihydro-2H-pyridine?
The InChIKey is YJCKFOHDGQPHHU-BENRWUELSA-N. The full InChI is InChI=1S/C22H33N/c1-6-20-14-15-23(5)16-21(20)12-10-17(2)11-13-22-18(3)8-7-9-19(22)4/h8,10,12H,2,6-7,9,11,13-16H2,1,3-5H3/b12-10-.
What are the key properties of 5-[(Z)-5-(2,6-dimethylcyclohexa-1,5-dien-1-yl)-3-methylidenepent-1-enyl]-4-ethyl-1-methyl-3,6-dihydro-2H-pyridine?
5-[(Z)-5-(2,6-dimethylcyclohexa-1,5-dien-1-yl)-3-methylidenepent-1-enyl]-4-ethyl-1-methyl-3,6-dihydro-2H-pyridine has a molecular weight of 311.51 g/mol, XLogP of 5.98, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-5-(2,6-dimethylcyclohexa-1,5-dien-1-yl)-3-methylidenepent-1-enyl]-4-ethyl-1-methyl-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 139353352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).