2-butyl-1,3,4,4a,9,9a-hexahydroindeno[2,1-c]pyridine

C16H23N — CID 10176973

IUPAC2-butyl-1,3,4,4a,9,9a-hexahydroindeno[2,1-c]pyridine
SMILESCCCCN1CCC2c3ccccc3CC2C1
InChIInChI=1S/C16H23N/c1-2-3-9-17-10-8-16-14(12-17)11-13-6-4-5-7-15(13)16/h4-7,14,16H,2-3,8-12H2,1H3
InChIKeyFLQWELWUFIHCPK-UHFFFAOYSA-N
MW229.37 g/mol
LogP3.45
Rot. Bonds3

About 2-butyl-1,3,4,4a,9,9a-hexahydroindeno[2,1-c]pyridine

2-butyl-1,3,4,4a,9,9a-hexahydroindeno[2,1-c]pyridine (PubChem CID 10176973) has the molecular formula C16H23N and a molecular weight of 229.37 g/mol. Its IUPAC name is 2-butyl-1,3,4,4a,9,9a-hexahydroindeno[2,1-c]pyridine.

Molecular Properties

Compound Name2-butyl-1,3,4,4a,9,9a-hexahydroindeno[2,1-c]pyridine
PubChem CID10176973
Molecular FormulaC16H23N
Molecular Weight229.37 g/mol
Exact Mass229.18
IUPAC Name2-butyl-1,3,4,4a,9,9a-hexahydroindeno[2,1-c]pyridine
SMILESCCCCN1CCC2c3ccccc3CC2C1
InChIInChI=1S/C16H23N/c1-2-3-9-17-10-8-16-14(12-17)11-13-6-4-5-7-15(13)16/h4-7,14,16H,2-3,8-12H2,1H3
InChIKeyFLQWELWUFIHCPK-UHFFFAOYSA-N
XLogP3.45
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Cyproheptadine
CID 2913
Phenindamine
CID 11291
1H-Indeno(1,2-b)pyridine, 2,3,4,4a,5,9b-hexahydro-1-methyl-5-phenyl-, (-)-
CID 3065151
1,1-Dimethyl-4-phenylpiperidin-1-ium iodide
CID 202330
1H-Indeno(1,2-b)pyridine, 2,3,4,4a,5,9b-hexahydro-1-methyl-5-phenyl-, (+)-
CID 3065150
2-(1-benzyl-1H-inden-3-yl)-N,N-dimethylethanamine
CID 11818252
1-[3-(3H-Inden-1-yl)-propyl]-3,3-dimethyl-piperidine
CID 10686061
4-Methyl-1-(5-phenyl-pentyl)-piperidine
CID 9992101
1-(5,5-Diphenyl-pentyl)-4-methyl-piperidine
CID 10358719
Isophenindamine
CID 162910
2-Di-n-propylaminoindan
CID 130402
4-Phenyl-1-propylpiperidine
CID 203697

Frequently Asked Questions

What is the IUPAC name of 2-butyl-1,3,4,4a,9,9a-hexahydroindeno[2,1-c]pyridine?
The IUPAC name of 2-butyl-1,3,4,4a,9,9a-hexahydroindeno[2,1-c]pyridine (CID 10176973) is 2-butyl-1,3,4,4a,9,9a-hexahydroindeno[2,1-c]pyridine.
What is the SMILES notation for 2-butyl-1,3,4,4a,9,9a-hexahydroindeno[2,1-c]pyridine?
The canonical SMILES for 2-butyl-1,3,4,4a,9,9a-hexahydroindeno[2,1-c]pyridine is CCCCN1CCC2c3ccccc3CC2C1.
What is the InChIKey of 2-butyl-1,3,4,4a,9,9a-hexahydroindeno[2,1-c]pyridine?
The InChIKey is FLQWELWUFIHCPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N/c1-2-3-9-17-10-8-16-14(12-17)11-13-6-4-5-7-15(13)16/h4-7,14,16H,2-3,8-12H2,1H3.
What are the key properties of 2-butyl-1,3,4,4a,9,9a-hexahydroindeno[2,1-c]pyridine?
2-butyl-1,3,4,4a,9,9a-hexahydroindeno[2,1-c]pyridine has a molecular weight of 229.37 g/mol, XLogP of 3.45, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-1,3,4,4a,9,9a-hexahydroindeno[2,1-c]pyridine is sourced from PubChem (CID 10176973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).