1-methyl-4-(2-propyl-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)-3,6-dihydro-2H-pyridine

C24H29N — CID 21474138

IUPAC1-methyl-4-(2-propyl-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)-3,6-dihydro-2H-pyridine
SMILESCCCC1(C2=CCN(C)CC2)c2ccccc2CCc2ccccc21
InChIInChI=1S/C24H29N/c1-3-16-24(21-14-17-25(2)18-15-21)22-10-6-4-8-19(22)12-13-20-9-5-7-11-23(20)24/h4-11,14H,3,12-13,15-18H2,1-2H3
InChIKeyMQUXKBVJOGKYMS-UHFFFAOYSA-N
MW331.50 g/mol
LogP5.13
Rot. Bonds3

About 1-methyl-4-(2-propyl-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)-3,6-dihydro-2H-pyridine

1-methyl-4-(2-propyl-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)-3,6-dihydro-2H-pyridine (PubChem CID 21474138) has the molecular formula C24H29N and a molecular weight of 331.50 g/mol. Its IUPAC name is 1-methyl-4-(2-propyl-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-methyl-4-(2-propyl-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)-3,6-dihydro-2H-pyridine
PubChem CID21474138
Molecular FormulaC24H29N
Molecular Weight331.50 g/mol
Exact Mass331.23
IUPAC Name1-methyl-4-(2-propyl-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)-3,6-dihydro-2H-pyridine
SMILESCCCC1(C2=CCN(C)CC2)c2ccccc2CCc2ccccc21
InChIInChI=1S/C24H29N/c1-3-16-24(21-14-17-25(2)18-15-21)22-10-6-4-8-19(22)12-13-20-9-5-7-11-23(20)24/h4-11,14H,3,12-13,15-18H2,1-2H3
InChIKeyMQUXKBVJOGKYMS-UHFFFAOYSA-N
XLogP5.13
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.50
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-methyl-4-(2-propyl-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)-3,6-dihydro-2H-pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(2-propyl-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-methyl-4-(2-propyl-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)-3,6-dihydro-2H-pyridine (CID 21474138) is 1-methyl-4-(2-propyl-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-methyl-4-(2-propyl-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-methyl-4-(2-propyl-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)-3,6-dihydro-2H-pyridine is CCCC1(C2=CCN(C)CC2)c2ccccc2CCc2ccccc21.
What is the InChIKey of 1-methyl-4-(2-propyl-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)-3,6-dihydro-2H-pyridine?
The InChIKey is MQUXKBVJOGKYMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N/c1-3-16-24(21-14-17-25(2)18-15-21)22-10-6-4-8-19(22)12-13-20-9-5-7-11-23(20)24/h4-11,14H,3,12-13,15-18H2,1-2H3.
What are the key properties of 1-methyl-4-(2-propyl-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)-3,6-dihydro-2H-pyridine?
1-methyl-4-(2-propyl-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)-3,6-dihydro-2H-pyridine has a molecular weight of 331.50 g/mol, XLogP of 5.13, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(2-propyl-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 21474138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).