6-ethyl-3,4,6,7-tetrahydro-2H-cyclohepta[b]pyridine

C12H17N — CID 123294073

IUPAC6-ethyl-3,4,6,7-tetrahydro-2H-cyclohepta[b]pyridine
SMILESCCC1C=C2CCCN=C2C=CC1
InChIInChI=1S/C12H17N/c1-2-10-5-3-7-12-11(9-10)6-4-8-13-12/h3,7,9-10H,2,4-6,8H2,1H3
InChIKeyDFFKXQMIQXBTMB-UHFFFAOYSA-N
MW175.28 g/mol
LogP3.13
Rot. Bonds1

About 6-ethyl-3,4,6,7-tetrahydro-2H-cyclohepta[b]pyridine

6-ethyl-3,4,6,7-tetrahydro-2H-cyclohepta[b]pyridine (PubChem CID 123294073) has the molecular formula C12H17N and a molecular weight of 175.28 g/mol. Its IUPAC name is 6-ethyl-3,4,6,7-tetrahydro-2H-cyclohepta[b]pyridine.

Molecular Properties

Compound Name6-ethyl-3,4,6,7-tetrahydro-2H-cyclohepta[b]pyridine
PubChem CID123294073
Molecular FormulaC12H17N
Molecular Weight175.28 g/mol
Exact Mass175.14
IUPAC Name6-ethyl-3,4,6,7-tetrahydro-2H-cyclohepta[b]pyridine
SMILESCCC1C=C2CCCN=C2C=CC1
InChIInChI=1S/C12H17N/c1-2-10-5-3-7-12-11(9-10)6-4-8-13-12/h3,7,9-10H,2,4-6,8H2,1H3
InChIKeyDFFKXQMIQXBTMB-UHFFFAOYSA-N
XLogP3.13
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.28
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-3,4,6,7-tetrahydro-2H-cyclohepta[b]pyridine?
The IUPAC name of 6-ethyl-3,4,6,7-tetrahydro-2H-cyclohepta[b]pyridine (CID 123294073) is 6-ethyl-3,4,6,7-tetrahydro-2H-cyclohepta[b]pyridine.
What is the SMILES notation for 6-ethyl-3,4,6,7-tetrahydro-2H-cyclohepta[b]pyridine?
The canonical SMILES for 6-ethyl-3,4,6,7-tetrahydro-2H-cyclohepta[b]pyridine is CCC1C=C2CCCN=C2C=CC1.
What is the InChIKey of 6-ethyl-3,4,6,7-tetrahydro-2H-cyclohepta[b]pyridine?
The InChIKey is DFFKXQMIQXBTMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N/c1-2-10-5-3-7-12-11(9-10)6-4-8-13-12/h3,7,9-10H,2,4-6,8H2,1H3.
What are the key properties of 6-ethyl-3,4,6,7-tetrahydro-2H-cyclohepta[b]pyridine?
6-ethyl-3,4,6,7-tetrahydro-2H-cyclohepta[b]pyridine has a molecular weight of 175.28 g/mol, XLogP of 3.13, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-3,4,6,7-tetrahydro-2H-cyclohepta[b]pyridine is sourced from PubChem (CID 123294073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).