4-propan-2-yl-5,6,7,8,9,10-hexahydrocycloocta[c]pyridine

C14H21N — CID 126704564

IUPAC4-propan-2-yl-5,6,7,8,9,10-hexahydrocycloocta[c]pyridine
SMILESCC(C)c1cncc2c1CCCCCC2
InChIInChI=1S/C14H21N/c1-11(2)14-10-15-9-12-7-5-3-4-6-8-13(12)14/h9-11H,3-8H2,1-2H3
InChIKeyGBNJPUDTPSGCJM-UHFFFAOYSA-N
MW203.33 g/mol
LogP3.86
Rot. Bonds1

About 4-propan-2-yl-5,6,7,8,9,10-hexahydrocycloocta[c]pyridine

4-propan-2-yl-5,6,7,8,9,10-hexahydrocycloocta[c]pyridine (PubChem CID 126704564) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is 4-propan-2-yl-5,6,7,8,9,10-hexahydrocycloocta[c]pyridine.

Molecular Properties

Compound Name4-propan-2-yl-5,6,7,8,9,10-hexahydrocycloocta[c]pyridine
PubChem CID126704564
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC Name4-propan-2-yl-5,6,7,8,9,10-hexahydrocycloocta[c]pyridine
SMILESCC(C)c1cncc2c1CCCCCC2
InChIInChI=1S/C14H21N/c1-11(2)14-10-15-9-12-7-5-3-4-6-8-13(12)14/h9-11H,3-8H2,1-2H3
InChIKeyGBNJPUDTPSGCJM-UHFFFAOYSA-N
XLogP3.86
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-5,6,7,8,9,10-hexahydrocycloocta[c]pyridine?
The IUPAC name of 4-propan-2-yl-5,6,7,8,9,10-hexahydrocycloocta[c]pyridine (CID 126704564) is 4-propan-2-yl-5,6,7,8,9,10-hexahydrocycloocta[c]pyridine.
What is the SMILES notation for 4-propan-2-yl-5,6,7,8,9,10-hexahydrocycloocta[c]pyridine?
The canonical SMILES for 4-propan-2-yl-5,6,7,8,9,10-hexahydrocycloocta[c]pyridine is CC(C)c1cncc2c1CCCCCC2.
What is the InChIKey of 4-propan-2-yl-5,6,7,8,9,10-hexahydrocycloocta[c]pyridine?
The InChIKey is GBNJPUDTPSGCJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N/c1-11(2)14-10-15-9-12-7-5-3-4-6-8-13(12)14/h9-11H,3-8H2,1-2H3.
What are the key properties of 4-propan-2-yl-5,6,7,8,9,10-hexahydrocycloocta[c]pyridine?
4-propan-2-yl-5,6,7,8,9,10-hexahydrocycloocta[c]pyridine has a molecular weight of 203.33 g/mol, XLogP of 3.86, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-5,6,7,8,9,10-hexahydrocycloocta[c]pyridine is sourced from PubChem (CID 126704564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).