2-(2,2-dimethylpropyl)-5,6,7,8,9,10,11,11a-octahydro-4aH-cyclonona[b]pyridine

C17H29N — CID 134492308

IUPAC2-(2,2-dimethylpropyl)-5,6,7,8,9,10,11,11a-octahydro-4aH-cyclonona[b]pyridine
SMILESCC(C)(C)CC1=NC2CCCCCCCC2C=C1
InChIInChI=1S/C17H29N/c1-17(2,3)13-15-12-11-14-9-7-5-4-6-8-10-16(14)18-15/h11-12,14,16H,4-10,13H2,1-3H3
InChIKeyFDSSXGCSSFMJFQ-UHFFFAOYSA-N
MW247.43 g/mol
LogP5.16
Rot. Bonds1

About 2-(2,2-dimethylpropyl)-5,6,7,8,9,10,11,11a-octahydro-4aH-cyclonona[b]pyridine

2-(2,2-dimethylpropyl)-5,6,7,8,9,10,11,11a-octahydro-4aH-cyclonona[b]pyridine (PubChem CID 134492308) has the molecular formula C17H29N and a molecular weight of 247.43 g/mol. Its IUPAC name is 2-(2,2-dimethylpropyl)-5,6,7,8,9,10,11,11a-octahydro-4aH-cyclonona[b]pyridine.

Molecular Properties

Compound Name2-(2,2-dimethylpropyl)-5,6,7,8,9,10,11,11a-octahydro-4aH-cyclonona[b]pyridine
PubChem CID134492308
Molecular FormulaC17H29N
Molecular Weight247.43 g/mol
Exact Mass247.23
IUPAC Name2-(2,2-dimethylpropyl)-5,6,7,8,9,10,11,11a-octahydro-4aH-cyclonona[b]pyridine
SMILESCC(C)(C)CC1=NC2CCCCCCCC2C=C1
InChIInChI=1S/C17H29N/c1-17(2,3)13-15-12-11-14-9-7-5-4-6-8-10-16(14)18-15/h11-12,14,16H,4-10,13H2,1-3H3
InChIKeyFDSSXGCSSFMJFQ-UHFFFAOYSA-N
XLogP5.16
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500247.43
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpropyl)-5,6,7,8,9,10,11,11a-octahydro-4aH-cyclonona[b]pyridine?
The IUPAC name of 2-(2,2-dimethylpropyl)-5,6,7,8,9,10,11,11a-octahydro-4aH-cyclonona[b]pyridine (CID 134492308) is 2-(2,2-dimethylpropyl)-5,6,7,8,9,10,11,11a-octahydro-4aH-cyclonona[b]pyridine.
What is the SMILES notation for 2-(2,2-dimethylpropyl)-5,6,7,8,9,10,11,11a-octahydro-4aH-cyclonona[b]pyridine?
The canonical SMILES for 2-(2,2-dimethylpropyl)-5,6,7,8,9,10,11,11a-octahydro-4aH-cyclonona[b]pyridine is CC(C)(C)CC1=NC2CCCCCCCC2C=C1.
What is the InChIKey of 2-(2,2-dimethylpropyl)-5,6,7,8,9,10,11,11a-octahydro-4aH-cyclonona[b]pyridine?
The InChIKey is FDSSXGCSSFMJFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N/c1-17(2,3)13-15-12-11-14-9-7-5-4-6-8-10-16(14)18-15/h11-12,14,16H,4-10,13H2,1-3H3.
What are the key properties of 2-(2,2-dimethylpropyl)-5,6,7,8,9,10,11,11a-octahydro-4aH-cyclonona[b]pyridine?
2-(2,2-dimethylpropyl)-5,6,7,8,9,10,11,11a-octahydro-4aH-cyclonona[b]pyridine has a molecular weight of 247.43 g/mol, XLogP of 5.16, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpropyl)-5,6,7,8,9,10,11,11a-octahydro-4aH-cyclonona[b]pyridine is sourced from PubChem (CID 134492308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).