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

C16H24ClN — CID 45260523

IUPAC2-butyl-1,3,4,4a,9,9a-hexahydroindeno[2,1-c]pyridine;hydrochloride
SMILESCCCCN1CCC2c3ccccc3CC2C1.Cl
InChIInChI=1S/C16H23N.ClH/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;1H
InChIKeySONFHFIEPBGNGA-UHFFFAOYSA-N
MW265.83 g/mol
LogP3.87
Rot. Bonds3

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

2-butyl-1,3,4,4a,9,9a-hexahydroindeno[2,1-c]pyridine;hydrochloride (PubChem CID 45260523) has the molecular formula C16H24ClN and a molecular weight of 265.83 g/mol. Its IUPAC name is 2-butyl-1,3,4,4a,9,9a-hexahydroindeno[2,1-c]pyridine;hydrochloride.

Molecular Properties

Compound Name2-butyl-1,3,4,4a,9,9a-hexahydroindeno[2,1-c]pyridine;hydrochloride
PubChem CID45260523
Molecular FormulaC16H24ClN
Molecular Weight265.83 g/mol
Exact Mass265.16
IUPAC Name2-butyl-1,3,4,4a,9,9a-hexahydroindeno[2,1-c]pyridine;hydrochloride
SMILESCCCCN1CCC2c3ccccc3CC2C1.Cl
InChIInChI=1S/C16H23N.ClH/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;1H
InChIKeySONFHFIEPBGNGA-UHFFFAOYSA-N
XLogP3.87
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.83
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-butyl-1,3,4,4a,9,9a-hexahydroindeno[2,1-c]pyridine;hydrochloride with MolForge

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Related Compounds

Cyproheptadine Hydrochloride
CID 13770
Phenindamine
CID 11291
1H-Indeno(1,2-b)pyridine, 2,3,4,4a,5,9b-hexahydro-1-methyl-5-phenyl-, (-)-
CID 3065151
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
Isophenindamine
CID 162910
4-Phenyl-1-propylpiperidine
CID 203697
1-(3-Phenylbutyl)piperidine
CID 11218224
1H-Indeno(1,2-b)pyridine, 2,3,4,4a,5,9b-hexahydro-5-phenyl-1-propyl-, (4a-alpha,5-alpha,9b-alpha)-
CID 55875
3-(2,6-Dimethyl-phenyl)-1-propyl-piperidine
CID 10561522

Frequently Asked Questions

What is the IUPAC name of 2-butyl-1,3,4,4a,9,9a-hexahydroindeno[2,1-c]pyridine;hydrochloride?
The IUPAC name of 2-butyl-1,3,4,4a,9,9a-hexahydroindeno[2,1-c]pyridine;hydrochloride (CID 45260523) is 2-butyl-1,3,4,4a,9,9a-hexahydroindeno[2,1-c]pyridine;hydrochloride.
What is the SMILES notation for 2-butyl-1,3,4,4a,9,9a-hexahydroindeno[2,1-c]pyridine;hydrochloride?
The canonical SMILES for 2-butyl-1,3,4,4a,9,9a-hexahydroindeno[2,1-c]pyridine;hydrochloride is CCCCN1CCC2c3ccccc3CC2C1.Cl.
What is the InChIKey of 2-butyl-1,3,4,4a,9,9a-hexahydroindeno[2,1-c]pyridine;hydrochloride?
The InChIKey is SONFHFIEPBGNGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N.ClH/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;1H.
What are the key properties of 2-butyl-1,3,4,4a,9,9a-hexahydroindeno[2,1-c]pyridine;hydrochloride?
2-butyl-1,3,4,4a,9,9a-hexahydroindeno[2,1-c]pyridine;hydrochloride has a molecular weight of 265.83 g/mol, XLogP of 3.87, 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;hydrochloride is sourced from PubChem (CID 45260523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).