9a-methyl-3,4,6,9-tetrahydrocyclohepta[b]pyridine;methane

C13H23N — CID 160535336

IUPAC9a-methyl-3,4,6,9-tetrahydrocyclohepta[b]pyridine;methane
SMILESC.C.CC12CC=CCC=C1CCC=N2
InChIInChI=1S/C11H15N.2CH4/c1-11-8-4-2-3-6-10(11)7-5-9-12-11;;/h2,4,6,9H,3,5,7-8H2,1H3;2*1H4
InChIKeyQWBRRUUGVQHKEF-UHFFFAOYSA-N
MW193.33 g/mol
LogP4.16
Rot. Bonds

About 9a-methyl-3,4,6,9-tetrahydrocyclohepta[b]pyridine;methane

9a-methyl-3,4,6,9-tetrahydrocyclohepta[b]pyridine;methane (PubChem CID 160535336) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is 9a-methyl-3,4,6,9-tetrahydrocyclohepta[b]pyridine;methane.

Molecular Properties

Compound Name9a-methyl-3,4,6,9-tetrahydrocyclohepta[b]pyridine;methane
PubChem CID160535336
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC Name9a-methyl-3,4,6,9-tetrahydrocyclohepta[b]pyridine;methane
SMILESC.C.CC12CC=CCC=C1CCC=N2
InChIInChI=1S/C11H15N.2CH4/c1-11-8-4-2-3-6-10(11)7-5-9-12-11;;/h2,4,6,9H,3,5,7-8H2,1H3;2*1H4
InChIKeyQWBRRUUGVQHKEF-UHFFFAOYSA-N
XLogP4.16
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9a-methyl-3,4,6,9-tetrahydrocyclohepta[b]pyridine;methane?
The IUPAC name of 9a-methyl-3,4,6,9-tetrahydrocyclohepta[b]pyridine;methane (CID 160535336) is 9a-methyl-3,4,6,9-tetrahydrocyclohepta[b]pyridine;methane.
What is the SMILES notation for 9a-methyl-3,4,6,9-tetrahydrocyclohepta[b]pyridine;methane?
The canonical SMILES for 9a-methyl-3,4,6,9-tetrahydrocyclohepta[b]pyridine;methane is C.C.CC12CC=CCC=C1CCC=N2.
What is the InChIKey of 9a-methyl-3,4,6,9-tetrahydrocyclohepta[b]pyridine;methane?
The InChIKey is QWBRRUUGVQHKEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N.2CH4/c1-11-8-4-2-3-6-10(11)7-5-9-12-11;;/h2,4,6,9H,3,5,7-8H2,1H3;2*1H4.
What are the key properties of 9a-methyl-3,4,6,9-tetrahydrocyclohepta[b]pyridine;methane?
9a-methyl-3,4,6,9-tetrahydrocyclohepta[b]pyridine;methane has a molecular weight of 193.33 g/mol, XLogP of 4.16, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9a-methyl-3,4,6,9-tetrahydrocyclohepta[b]pyridine;methane is sourced from PubChem (CID 160535336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).