2-ethyl-7-methyl-5-(4-methylphenyl)-1,3,4,4a,5,9b-hexahydroindeno[1,2-c]pyridine

C22H27N — CID 10086446

IUPAC2-ethyl-7-methyl-5-(4-methylphenyl)-1,3,4,4a,5,9b-hexahydroindeno[1,2-c]pyridine
SMILESCCN1CCC2C(C1)c1ccc(C)cc1C2c1ccc(C)cc1
InChIInChI=1S/C22H27N/c1-4-23-12-11-19-21(14-23)18-10-7-16(3)13-20(18)22(19)17-8-5-15(2)6-9-17/h5-10,13,19,21-22H,4,11-12,14H2,1-3H3
InChIKeyAYJJTPLDSZAGGA-UHFFFAOYSA-N
MW305.47 g/mol
LogP4.87
Rot. Bonds2

About 2-ethyl-7-methyl-5-(4-methylphenyl)-1,3,4,4a,5,9b-hexahydroindeno[1,2-c]pyridine

2-ethyl-7-methyl-5-(4-methylphenyl)-1,3,4,4a,5,9b-hexahydroindeno[1,2-c]pyridine (PubChem CID 10086446) has the molecular formula C22H27N and a molecular weight of 305.47 g/mol. Its IUPAC name is 2-ethyl-7-methyl-5-(4-methylphenyl)-1,3,4,4a,5,9b-hexahydroindeno[1,2-c]pyridine.

Molecular Properties

Compound Name2-ethyl-7-methyl-5-(4-methylphenyl)-1,3,4,4a,5,9b-hexahydroindeno[1,2-c]pyridine
PubChem CID10086446
Molecular FormulaC22H27N
Molecular Weight305.47 g/mol
Exact Mass305.21
IUPAC Name2-ethyl-7-methyl-5-(4-methylphenyl)-1,3,4,4a,5,9b-hexahydroindeno[1,2-c]pyridine
SMILESCCN1CCC2C(C1)c1ccc(C)cc1C2c1ccc(C)cc1
InChIInChI=1S/C22H27N/c1-4-23-12-11-19-21(14-23)18-10-7-16(3)13-20(18)22(19)17-8-5-15(2)6-9-17/h5-10,13,19,21-22H,4,11-12,14H2,1-3H3
InChIKeyAYJJTPLDSZAGGA-UHFFFAOYSA-N
XLogP4.87
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.47
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-7-methyl-5-(4-methylphenyl)-1,3,4,4a,5,9b-hexahydroindeno[1,2-c]pyridine?
The IUPAC name of 2-ethyl-7-methyl-5-(4-methylphenyl)-1,3,4,4a,5,9b-hexahydroindeno[1,2-c]pyridine (CID 10086446) is 2-ethyl-7-methyl-5-(4-methylphenyl)-1,3,4,4a,5,9b-hexahydroindeno[1,2-c]pyridine.
What is the SMILES notation for 2-ethyl-7-methyl-5-(4-methylphenyl)-1,3,4,4a,5,9b-hexahydroindeno[1,2-c]pyridine?
The canonical SMILES for 2-ethyl-7-methyl-5-(4-methylphenyl)-1,3,4,4a,5,9b-hexahydroindeno[1,2-c]pyridine is CCN1CCC2C(C1)c1ccc(C)cc1C2c1ccc(C)cc1.
What is the InChIKey of 2-ethyl-7-methyl-5-(4-methylphenyl)-1,3,4,4a,5,9b-hexahydroindeno[1,2-c]pyridine?
The InChIKey is AYJJTPLDSZAGGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N/c1-4-23-12-11-19-21(14-23)18-10-7-16(3)13-20(18)22(19)17-8-5-15(2)6-9-17/h5-10,13,19,21-22H,4,11-12,14H2,1-3H3.
What are the key properties of 2-ethyl-7-methyl-5-(4-methylphenyl)-1,3,4,4a,5,9b-hexahydroindeno[1,2-c]pyridine?
2-ethyl-7-methyl-5-(4-methylphenyl)-1,3,4,4a,5,9b-hexahydroindeno[1,2-c]pyridine has a molecular weight of 305.47 g/mol, XLogP of 4.87, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-7-methyl-5-(4-methylphenyl)-1,3,4,4a,5,9b-hexahydroindeno[1,2-c]pyridine is sourced from PubChem (CID 10086446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).