6-nonan-2-yl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine

C16H32N2 — CID 102678633

IUPAC6-nonan-2-yl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
SMILESCCCCCCCC(C)N1CC2CCCNC2C1
InChIInChI=1S/C16H32N2/c1-3-4-5-6-7-9-14(2)18-12-15-10-8-11-17-16(15)13-18/h14-17H,3-13H2,1-2H3
InChIKeyGYFQVRGEKLSXHV-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.42
Rot. Bonds7

About 6-nonan-2-yl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine

6-nonan-2-yl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine (PubChem CID 102678633) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is 6-nonan-2-yl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine.

Molecular Properties

Compound Name6-nonan-2-yl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
PubChem CID102678633
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC Name6-nonan-2-yl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
SMILESCCCCCCCC(C)N1CC2CCCNC2C1
InChIInChI=1S/C16H32N2/c1-3-4-5-6-7-9-14(2)18-12-15-10-8-11-17-16(15)13-18/h14-17H,3-13H2,1-2H3
InChIKeyGYFQVRGEKLSXHV-UHFFFAOYSA-N
XLogP3.42
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-nonan-2-yl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine?
The IUPAC name of 6-nonan-2-yl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine (CID 102678633) is 6-nonan-2-yl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine.
What is the SMILES notation for 6-nonan-2-yl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine?
The canonical SMILES for 6-nonan-2-yl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine is CCCCCCCC(C)N1CC2CCCNC2C1.
What is the InChIKey of 6-nonan-2-yl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine?
The InChIKey is GYFQVRGEKLSXHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-3-4-5-6-7-9-14(2)18-12-15-10-8-11-17-16(15)13-18/h14-17H,3-13H2,1-2H3.
What are the key properties of 6-nonan-2-yl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine?
6-nonan-2-yl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine has a molecular weight of 252.45 g/mol, XLogP of 3.42, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-nonan-2-yl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine is sourced from PubChem (CID 102678633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).