1-ethyl-7-methyl-2,3,4,7-tetrahydrocyclohepta[b]pyridine

C13H19N — CID 89274844

IUPAC1-ethyl-7-methyl-2,3,4,7-tetrahydrocyclohepta[b]pyridine
SMILESCCN1CCCC2=C1C=CC(C)C=C2
InChIInChI=1S/C13H19N/c1-3-14-10-4-5-12-8-6-11(2)7-9-13(12)14/h6-9,11H,3-5,10H2,1-2H3
InChIKeyWYKYNBFIOFMQTD-UHFFFAOYSA-N
MW189.30 g/mol
LogP3.12
Rot. Bonds1

About 1-ethyl-7-methyl-2,3,4,7-tetrahydrocyclohepta[b]pyridine

1-ethyl-7-methyl-2,3,4,7-tetrahydrocyclohepta[b]pyridine (PubChem CID 89274844) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is 1-ethyl-7-methyl-2,3,4,7-tetrahydrocyclohepta[b]pyridine.

Molecular Properties

Compound Name1-ethyl-7-methyl-2,3,4,7-tetrahydrocyclohepta[b]pyridine
PubChem CID89274844
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name1-ethyl-7-methyl-2,3,4,7-tetrahydrocyclohepta[b]pyridine
SMILESCCN1CCCC2=C1C=CC(C)C=C2
InChIInChI=1S/C13H19N/c1-3-14-10-4-5-12-8-6-11(2)7-9-13(12)14/h6-9,11H,3-5,10H2,1-2H3
InChIKeyWYKYNBFIOFMQTD-UHFFFAOYSA-N
XLogP3.12
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-7-methyl-2,3,4,7-tetrahydrocyclohepta[b]pyridine?
The IUPAC name of 1-ethyl-7-methyl-2,3,4,7-tetrahydrocyclohepta[b]pyridine (CID 89274844) is 1-ethyl-7-methyl-2,3,4,7-tetrahydrocyclohepta[b]pyridine.
What is the SMILES notation for 1-ethyl-7-methyl-2,3,4,7-tetrahydrocyclohepta[b]pyridine?
The canonical SMILES for 1-ethyl-7-methyl-2,3,4,7-tetrahydrocyclohepta[b]pyridine is CCN1CCCC2=C1C=CC(C)C=C2.
What is the InChIKey of 1-ethyl-7-methyl-2,3,4,7-tetrahydrocyclohepta[b]pyridine?
The InChIKey is WYKYNBFIOFMQTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N/c1-3-14-10-4-5-12-8-6-11(2)7-9-13(12)14/h6-9,11H,3-5,10H2,1-2H3.
What are the key properties of 1-ethyl-7-methyl-2,3,4,7-tetrahydrocyclohepta[b]pyridine?
1-ethyl-7-methyl-2,3,4,7-tetrahydrocyclohepta[b]pyridine has a molecular weight of 189.30 g/mol, XLogP of 3.12, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-7-methyl-2,3,4,7-tetrahydrocyclohepta[b]pyridine is sourced from PubChem (CID 89274844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).