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

C17H27N — CID 170668940

IUPAC4,5-di(propan-2-yl)-5,6,7,8,9,10-hexahydrocycloocta[c]pyridine
SMILESCC(C)c1cncc2c1C(C(C)C)CCCCC2
InChIInChI=1S/C17H27N/c1-12(2)15-9-7-5-6-8-14-10-18-11-16(13(3)4)17(14)15/h10-13,15H,5-9H2,1-4H3
InChIKeyIFOQONNIDXRSJA-UHFFFAOYSA-N
MW245.41 g/mol
LogP5.06
Rot. Bonds2

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

4,5-di(propan-2-yl)-5,6,7,8,9,10-hexahydrocycloocta[c]pyridine (PubChem CID 170668940) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is 4,5-di(propan-2-yl)-5,6,7,8,9,10-hexahydrocycloocta[c]pyridine.

Molecular Properties

Compound Name4,5-di(propan-2-yl)-5,6,7,8,9,10-hexahydrocycloocta[c]pyridine
PubChem CID170668940
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC Name4,5-di(propan-2-yl)-5,6,7,8,9,10-hexahydrocycloocta[c]pyridine
SMILESCC(C)c1cncc2c1C(C(C)C)CCCCC2
InChIInChI=1S/C17H27N/c1-12(2)15-9-7-5-6-8-14-10-18-11-16(13(3)4)17(14)15/h10-13,15H,5-9H2,1-4H3
InChIKeyIFOQONNIDXRSJA-UHFFFAOYSA-N
XLogP5.06
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500245.41
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4,5-di(propan-2-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridine
CID 170669011
4-propan-2-yl-5,6,7,8,9,10-hexahydrocycloocta[c]pyridine
CID 126704564
8-propan-2-yl-3,4-dihydro-2H-thiopyrano[3,2-c]pyridine 1,1-dioxide
CID 153432852
7-propan-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 58752904
6,7-di(propan-2-yl)-3,4,5,6-tetrahydro-2H-oxocino[2,3-b]pyridine
CID 170669183
(5R)-4-fluoro-5-propan-2-yl-2-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulene
CID 176958266
8-methyl-1-propan-2-yl-1,2,3,4-tetrahydronaphthalene
CID 12778774
(8R)-8-propan-2-yl-5,6,7,8-tetrahydroquinoline
CID 58752937
8-propan-2-yl-5,6,7,8-tetrahydroisoquinolin-4-amine
CID 177216962
2,5-di(propan-2-yl)-3,4-dihydro-1H-2,7-naphthyridine
CID 164720435
(1Z)-1-(2-methylpropylidene)-2-propan-2-ylcyclopentane
CID 140611088
5,6-di(propan-2-yl)-2,3,4,5-tetrahydro-1-benzothiepine
CID 170669166

Frequently Asked Questions

What is the IUPAC name of 4,5-di(propan-2-yl)-5,6,7,8,9,10-hexahydrocycloocta[c]pyridine?
The IUPAC name of 4,5-di(propan-2-yl)-5,6,7,8,9,10-hexahydrocycloocta[c]pyridine (CID 170668940) is 4,5-di(propan-2-yl)-5,6,7,8,9,10-hexahydrocycloocta[c]pyridine.
What is the SMILES notation for 4,5-di(propan-2-yl)-5,6,7,8,9,10-hexahydrocycloocta[c]pyridine?
The canonical SMILES for 4,5-di(propan-2-yl)-5,6,7,8,9,10-hexahydrocycloocta[c]pyridine is CC(C)c1cncc2c1C(C(C)C)CCCCC2.
What is the InChIKey of 4,5-di(propan-2-yl)-5,6,7,8,9,10-hexahydrocycloocta[c]pyridine?
The InChIKey is IFOQONNIDXRSJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N/c1-12(2)15-9-7-5-6-8-14-10-18-11-16(13(3)4)17(14)15/h10-13,15H,5-9H2,1-4H3.
What are the key properties of 4,5-di(propan-2-yl)-5,6,7,8,9,10-hexahydrocycloocta[c]pyridine?
4,5-di(propan-2-yl)-5,6,7,8,9,10-hexahydrocycloocta[c]pyridine has a molecular weight of 245.41 g/mol, XLogP of 5.06, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-di(propan-2-yl)-5,6,7,8,9,10-hexahydrocycloocta[c]pyridine is sourced from PubChem (CID 170668940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).