2-methyl-5,6,7,8,9,9a-hexahydro-4aH-cyclohepta[b]pyridine

C11H17N — CID 167216793

IUPAC2-methyl-5,6,7,8,9,9a-hexahydro-4aH-cyclohepta[b]pyridine
SMILESCC1=NC2CCCCCC2C=C1
InChIInChI=1S/C11H17N/c1-9-7-8-10-5-3-2-4-6-11(10)12-9/h7-8,10-11H,2-6H2,1H3
InChIKeyMNFBIVMCPACLPN-UHFFFAOYSA-N
MW163.26 g/mol
LogP2.97
Rot. Bonds

About 2-methyl-5,6,7,8,9,9a-hexahydro-4aH-cyclohepta[b]pyridine

2-methyl-5,6,7,8,9,9a-hexahydro-4aH-cyclohepta[b]pyridine (PubChem CID 167216793) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is 2-methyl-5,6,7,8,9,9a-hexahydro-4aH-cyclohepta[b]pyridine.

Molecular Properties

Compound Name2-methyl-5,6,7,8,9,9a-hexahydro-4aH-cyclohepta[b]pyridine
PubChem CID167216793
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC Name2-methyl-5,6,7,8,9,9a-hexahydro-4aH-cyclohepta[b]pyridine
SMILESCC1=NC2CCCCCC2C=C1
InChIInChI=1S/C11H17N/c1-9-7-8-10-5-3-2-4-6-11(10)12-9/h7-8,10-11H,2-6H2,1H3
InChIKeyMNFBIVMCPACLPN-UHFFFAOYSA-N
XLogP2.97
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5,6,7,8,9,9a-hexahydro-4aH-cyclohepta[b]pyridine?
The IUPAC name of 2-methyl-5,6,7,8,9,9a-hexahydro-4aH-cyclohepta[b]pyridine (CID 167216793) is 2-methyl-5,6,7,8,9,9a-hexahydro-4aH-cyclohepta[b]pyridine.
What is the SMILES notation for 2-methyl-5,6,7,8,9,9a-hexahydro-4aH-cyclohepta[b]pyridine?
The canonical SMILES for 2-methyl-5,6,7,8,9,9a-hexahydro-4aH-cyclohepta[b]pyridine is CC1=NC2CCCCCC2C=C1.
What is the InChIKey of 2-methyl-5,6,7,8,9,9a-hexahydro-4aH-cyclohepta[b]pyridine?
The InChIKey is MNFBIVMCPACLPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N/c1-9-7-8-10-5-3-2-4-6-11(10)12-9/h7-8,10-11H,2-6H2,1H3.
What are the key properties of 2-methyl-5,6,7,8,9,9a-hexahydro-4aH-cyclohepta[b]pyridine?
2-methyl-5,6,7,8,9,9a-hexahydro-4aH-cyclohepta[b]pyridine has a molecular weight of 163.26 g/mol, XLogP of 2.97, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5,6,7,8,9,9a-hexahydro-4aH-cyclohepta[b]pyridine is sourced from PubChem (CID 167216793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).