5-ethyl-5,6,7,8,9,10,11,12,13,14-decahydrocyclododeca[c]pyridine

C17H27N — CID 143716647

IUPAC5-ethyl-5,6,7,8,9,10,11,12,13,14-decahydrocyclododeca[c]pyridine
SMILESCCC1CCCCCCCCCc2cnccc21
InChIInChI=1S/C17H27N/c1-2-15-10-8-6-4-3-5-7-9-11-16-14-18-13-12-17(15)16/h12-15H,2-11H2,1H3
InChIKeyXMDYCXBJJJLURR-UHFFFAOYSA-N
MW245.41 g/mol
LogP5.25
Rot. Bonds1

About 5-ethyl-5,6,7,8,9,10,11,12,13,14-decahydrocyclododeca[c]pyridine

5-ethyl-5,6,7,8,9,10,11,12,13,14-decahydrocyclododeca[c]pyridine (PubChem CID 143716647) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is 5-ethyl-5,6,7,8,9,10,11,12,13,14-decahydrocyclododeca[c]pyridine.

Molecular Properties

Compound Name5-ethyl-5,6,7,8,9,10,11,12,13,14-decahydrocyclododeca[c]pyridine
PubChem CID143716647
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC Name5-ethyl-5,6,7,8,9,10,11,12,13,14-decahydrocyclododeca[c]pyridine
SMILESCCC1CCCCCCCCCc2cnccc21
InChIInChI=1S/C17H27N/c1-2-15-10-8-6-4-3-5-7-9-11-16-14-18-13-12-17(15)16/h12-15H,2-11H2,1H3
InChIKeyXMDYCXBJJJLURR-UHFFFAOYSA-N
XLogP5.25
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500245.41
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-5,6,7,8,9,10,11,12,13,14-decahydrocyclododeca[c]pyridine?
The IUPAC name of 5-ethyl-5,6,7,8,9,10,11,12,13,14-decahydrocyclododeca[c]pyridine (CID 143716647) is 5-ethyl-5,6,7,8,9,10,11,12,13,14-decahydrocyclododeca[c]pyridine.
What is the SMILES notation for 5-ethyl-5,6,7,8,9,10,11,12,13,14-decahydrocyclododeca[c]pyridine?
The canonical SMILES for 5-ethyl-5,6,7,8,9,10,11,12,13,14-decahydrocyclododeca[c]pyridine is CCC1CCCCCCCCCc2cnccc21.
What is the InChIKey of 5-ethyl-5,6,7,8,9,10,11,12,13,14-decahydrocyclododeca[c]pyridine?
The InChIKey is XMDYCXBJJJLURR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N/c1-2-15-10-8-6-4-3-5-7-9-11-16-14-18-13-12-17(15)16/h12-15H,2-11H2,1H3.
What are the key properties of 5-ethyl-5,6,7,8,9,10,11,12,13,14-decahydrocyclododeca[c]pyridine?
5-ethyl-5,6,7,8,9,10,11,12,13,14-decahydrocyclododeca[c]pyridine has a molecular weight of 245.41 g/mol, XLogP of 5.25, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-5,6,7,8,9,10,11,12,13,14-decahydrocyclododeca[c]pyridine is sourced from PubChem (CID 143716647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).