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

C23H29N — CID 75031201

IUPAC7-ethyl-9-(4-ethylphenyl)-2-methyl-1,3,4,4a,9,9a-hexahydroindeno[2,1-c]pyridine
SMILESCCc1ccc(C2c3cc(CC)ccc3C3CCN(C)CC32)cc1
InChIInChI=1S/C23H29N/c1-4-16-6-9-18(10-7-16)23-21-14-17(5-2)8-11-19(21)20-12-13-24(3)15-22(20)23/h6-11,14,20,22-23H,4-5,12-13,15H2,1-3H3
InChIKeySUYWDPJYMKKYEG-UHFFFAOYSA-N
MW319.49 g/mol
LogP4.99
Rot. Bonds3

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

7-ethyl-9-(4-ethylphenyl)-2-methyl-1,3,4,4a,9,9a-hexahydroindeno[2,1-c]pyridine (PubChem CID 75031201) has the molecular formula C23H29N and a molecular weight of 319.49 g/mol. Its IUPAC name is 7-ethyl-9-(4-ethylphenyl)-2-methyl-1,3,4,4a,9,9a-hexahydroindeno[2,1-c]pyridine.

Molecular Properties

Compound Name7-ethyl-9-(4-ethylphenyl)-2-methyl-1,3,4,4a,9,9a-hexahydroindeno[2,1-c]pyridine
PubChem CID75031201
Molecular FormulaC23H29N
Molecular Weight319.49 g/mol
Exact Mass319.23
IUPAC Name7-ethyl-9-(4-ethylphenyl)-2-methyl-1,3,4,4a,9,9a-hexahydroindeno[2,1-c]pyridine
SMILESCCc1ccc(C2c3cc(CC)ccc3C3CCN(C)CC32)cc1
InChIInChI=1S/C23H29N/c1-4-16-6-9-18(10-7-16)23-21-14-17(5-2)8-11-19(21)20-12-13-24(3)15-22(20)23/h6-11,14,20,22-23H,4-5,12-13,15H2,1-3H3
InChIKeySUYWDPJYMKKYEG-UHFFFAOYSA-N
XLogP4.99
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.49
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-ethyl-9-(4-ethylphenyl)-2-methyl-1,3,4,4a,9,9a-hexahydroindeno[2,1-c]pyridine?
The IUPAC name of 7-ethyl-9-(4-ethylphenyl)-2-methyl-1,3,4,4a,9,9a-hexahydroindeno[2,1-c]pyridine (CID 75031201) is 7-ethyl-9-(4-ethylphenyl)-2-methyl-1,3,4,4a,9,9a-hexahydroindeno[2,1-c]pyridine.
What is the SMILES notation for 7-ethyl-9-(4-ethylphenyl)-2-methyl-1,3,4,4a,9,9a-hexahydroindeno[2,1-c]pyridine?
The canonical SMILES for 7-ethyl-9-(4-ethylphenyl)-2-methyl-1,3,4,4a,9,9a-hexahydroindeno[2,1-c]pyridine is CCc1ccc(C2c3cc(CC)ccc3C3CCN(C)CC32)cc1.
What is the InChIKey of 7-ethyl-9-(4-ethylphenyl)-2-methyl-1,3,4,4a,9,9a-hexahydroindeno[2,1-c]pyridine?
The InChIKey is SUYWDPJYMKKYEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N/c1-4-16-6-9-18(10-7-16)23-21-14-17(5-2)8-11-19(21)20-12-13-24(3)15-22(20)23/h6-11,14,20,22-23H,4-5,12-13,15H2,1-3H3.
What are the key properties of 7-ethyl-9-(4-ethylphenyl)-2-methyl-1,3,4,4a,9,9a-hexahydroindeno[2,1-c]pyridine?
7-ethyl-9-(4-ethylphenyl)-2-methyl-1,3,4,4a,9,9a-hexahydroindeno[2,1-c]pyridine has a molecular weight of 319.49 g/mol, XLogP of 4.99, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-9-(4-ethylphenyl)-2-methyl-1,3,4,4a,9,9a-hexahydroindeno[2,1-c]pyridine is sourced from PubChem (CID 75031201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).