7-methyl-6-[2-(2-methylcycloheptyl)ethyl]-5a,6,7,8,9,9a-hexahydro-5H-indeno[1,2-b]pyridine

C23H35N — CID 142945021

IUPAC7-methyl-6-[2-(2-methylcycloheptyl)ethyl]-5a,6,7,8,9,9a-hexahydro-5H-indeno[1,2-b]pyridine
SMILESCC1CCCCCC1CCC1C(C)CCC2c3ncccc3CC21
InChIInChI=1S/C23H35N/c1-16-7-4-3-5-8-18(16)11-13-20-17(2)10-12-21-22(20)15-19-9-6-14-24-23(19)21/h6,9,14,16-18,20-22H,3-5,7-8,10-13,15H2,1-2H3
InChIKeyBJUXLOULCIYNTG-UHFFFAOYSA-N
MW325.54 g/mol
LogP6.38
Rot. Bonds3

About 7-methyl-6-[2-(2-methylcycloheptyl)ethyl]-5a,6,7,8,9,9a-hexahydro-5H-indeno[1,2-b]pyridine

7-methyl-6-[2-(2-methylcycloheptyl)ethyl]-5a,6,7,8,9,9a-hexahydro-5H-indeno[1,2-b]pyridine (PubChem CID 142945021) has the molecular formula C23H35N and a molecular weight of 325.54 g/mol. Its IUPAC name is 7-methyl-6-[2-(2-methylcycloheptyl)ethyl]-5a,6,7,8,9,9a-hexahydro-5H-indeno[1,2-b]pyridine.

Molecular Properties

Compound Name7-methyl-6-[2-(2-methylcycloheptyl)ethyl]-5a,6,7,8,9,9a-hexahydro-5H-indeno[1,2-b]pyridine
PubChem CID142945021
Molecular FormulaC23H35N
Molecular Weight325.54 g/mol
Exact Mass325.28
IUPAC Name7-methyl-6-[2-(2-methylcycloheptyl)ethyl]-5a,6,7,8,9,9a-hexahydro-5H-indeno[1,2-b]pyridine
SMILESCC1CCCCCC1CCC1C(C)CCC2c3ncccc3CC21
InChIInChI=1S/C23H35N/c1-16-7-4-3-5-8-18(16)11-13-20-17(2)10-12-21-22(20)15-19-9-6-14-24-23(19)21/h6,9,14,16-18,20-22H,3-5,7-8,10-13,15H2,1-2H3
InChIKeyBJUXLOULCIYNTG-UHFFFAOYSA-N
XLogP6.38
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.54
LogP ≤ 56.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-6-[2-(2-methylcycloheptyl)ethyl]-5a,6,7,8,9,9a-hexahydro-5H-indeno[1,2-b]pyridine?
The IUPAC name of 7-methyl-6-[2-(2-methylcycloheptyl)ethyl]-5a,6,7,8,9,9a-hexahydro-5H-indeno[1,2-b]pyridine (CID 142945021) is 7-methyl-6-[2-(2-methylcycloheptyl)ethyl]-5a,6,7,8,9,9a-hexahydro-5H-indeno[1,2-b]pyridine.
What is the SMILES notation for 7-methyl-6-[2-(2-methylcycloheptyl)ethyl]-5a,6,7,8,9,9a-hexahydro-5H-indeno[1,2-b]pyridine?
The canonical SMILES for 7-methyl-6-[2-(2-methylcycloheptyl)ethyl]-5a,6,7,8,9,9a-hexahydro-5H-indeno[1,2-b]pyridine is CC1CCCCCC1CCC1C(C)CCC2c3ncccc3CC21.
What is the InChIKey of 7-methyl-6-[2-(2-methylcycloheptyl)ethyl]-5a,6,7,8,9,9a-hexahydro-5H-indeno[1,2-b]pyridine?
The InChIKey is BJUXLOULCIYNTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N/c1-16-7-4-3-5-8-18(16)11-13-20-17(2)10-12-21-22(20)15-19-9-6-14-24-23(19)21/h6,9,14,16-18,20-22H,3-5,7-8,10-13,15H2,1-2H3.
What are the key properties of 7-methyl-6-[2-(2-methylcycloheptyl)ethyl]-5a,6,7,8,9,9a-hexahydro-5H-indeno[1,2-b]pyridine?
7-methyl-6-[2-(2-methylcycloheptyl)ethyl]-5a,6,7,8,9,9a-hexahydro-5H-indeno[1,2-b]pyridine has a molecular weight of 325.54 g/mol, XLogP of 6.38, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-6-[2-(2-methylcycloheptyl)ethyl]-5a,6,7,8,9,9a-hexahydro-5H-indeno[1,2-b]pyridine is sourced from PubChem (CID 142945021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).