2-methyl-7-[(4-methylcyclooctyl)methyl]-8H-cyclohepta[b]pyridine

C21H29N — CID 167263870

IUPAC2-methyl-7-[(4-methylcyclooctyl)methyl]-8H-cyclohepta[b]pyridine
SMILESCc1ccc2c(n1)=CCC(CC1CCCCC(C)CC1)=CC=2
InChIInChI=1S/C21H29N/c1-16-5-3-4-6-18(9-7-16)15-19-10-13-20-12-8-17(2)22-21(20)14-11-19/h8,10,12-14,16,18H,3-7,9,11,15H2,1-2H3
InChIKeyHJWRHCQOPRIAKH-UHFFFAOYSA-N
MW295.47 g/mol
LogP4.28
Rot. Bonds2

About 2-methyl-7-[(4-methylcyclooctyl)methyl]-8H-cyclohepta[b]pyridine

2-methyl-7-[(4-methylcyclooctyl)methyl]-8H-cyclohepta[b]pyridine (PubChem CID 167263870) has the molecular formula C21H29N and a molecular weight of 295.47 g/mol. Its IUPAC name is 2-methyl-7-[(4-methylcyclooctyl)methyl]-8H-cyclohepta[b]pyridine.

Molecular Properties

Compound Name2-methyl-7-[(4-methylcyclooctyl)methyl]-8H-cyclohepta[b]pyridine
PubChem CID167263870
Molecular FormulaC21H29N
Molecular Weight295.47 g/mol
Exact Mass295.23
IUPAC Name2-methyl-7-[(4-methylcyclooctyl)methyl]-8H-cyclohepta[b]pyridine
SMILESCc1ccc2c(n1)=CCC(CC1CCCCC(C)CC1)=CC=2
InChIInChI=1S/C21H29N/c1-16-5-3-4-6-18(9-7-16)15-19-10-13-20-12-8-17(2)22-21(20)14-11-19/h8,10,12-14,16,18H,3-7,9,11,15H2,1-2H3
InChIKeyHJWRHCQOPRIAKH-UHFFFAOYSA-N
XLogP4.28
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-7-[(4-methylcyclooctyl)methyl]-8H-cyclohepta[b]pyridine?
The IUPAC name of 2-methyl-7-[(4-methylcyclooctyl)methyl]-8H-cyclohepta[b]pyridine (CID 167263870) is 2-methyl-7-[(4-methylcyclooctyl)methyl]-8H-cyclohepta[b]pyridine.
What is the SMILES notation for 2-methyl-7-[(4-methylcyclooctyl)methyl]-8H-cyclohepta[b]pyridine?
The canonical SMILES for 2-methyl-7-[(4-methylcyclooctyl)methyl]-8H-cyclohepta[b]pyridine is Cc1ccc2c(n1)=CCC(CC1CCCCC(C)CC1)=CC=2.
What is the InChIKey of 2-methyl-7-[(4-methylcyclooctyl)methyl]-8H-cyclohepta[b]pyridine?
The InChIKey is HJWRHCQOPRIAKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N/c1-16-5-3-4-6-18(9-7-16)15-19-10-13-20-12-8-17(2)22-21(20)14-11-19/h8,10,12-14,16,18H,3-7,9,11,15H2,1-2H3.
What are the key properties of 2-methyl-7-[(4-methylcyclooctyl)methyl]-8H-cyclohepta[b]pyridine?
2-methyl-7-[(4-methylcyclooctyl)methyl]-8H-cyclohepta[b]pyridine has a molecular weight of 295.47 g/mol, XLogP of 4.28, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-7-[(4-methylcyclooctyl)methyl]-8H-cyclohepta[b]pyridine is sourced from PubChem (CID 167263870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).