1-[3-(2,3-dihydro-1H-inden-1-yl)propyl]-3,6-dihydro-2H-pyridine

C17H23N — CID 141001586

IUPAC1-[3-(2,3-dihydro-1H-inden-1-yl)propyl]-3,6-dihydro-2H-pyridine
SMILESC1=CCN(CCCC2CCc3ccccc32)CC1
InChIInChI=1S/C17H23N/c1-4-12-18(13-5-1)14-6-8-16-11-10-15-7-2-3-9-17(15)16/h1-4,7,9,16H,5-6,8,10-14H2
InChIKeyGEAPGPSXTOCHJI-UHFFFAOYSA-N
MW241.38 g/mol
LogP3.76
Rot. Bonds4

About 1-[3-(2,3-dihydro-1H-inden-1-yl)propyl]-3,6-dihydro-2H-pyridine

1-[3-(2,3-dihydro-1H-inden-1-yl)propyl]-3,6-dihydro-2H-pyridine (PubChem CID 141001586) has the molecular formula C17H23N and a molecular weight of 241.38 g/mol. Its IUPAC name is 1-[3-(2,3-dihydro-1H-inden-1-yl)propyl]-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-[3-(2,3-dihydro-1H-inden-1-yl)propyl]-3,6-dihydro-2H-pyridine
PubChem CID141001586
Molecular FormulaC17H23N
Molecular Weight241.38 g/mol
Exact Mass241.18
IUPAC Name1-[3-(2,3-dihydro-1H-inden-1-yl)propyl]-3,6-dihydro-2H-pyridine
SMILESC1=CCN(CCCC2CCc3ccccc32)CC1
InChIInChI=1S/C17H23N/c1-4-12-18(13-5-1)14-6-8-16-11-10-15-7-2-3-9-17(15)16/h1-4,7,9,16H,5-6,8,10-14H2
InChIKeyGEAPGPSXTOCHJI-UHFFFAOYSA-N
XLogP3.76
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(3-chlorophenyl)-4-[3-(2,3-dihydro-1H-inden-1-yl)propyl]piperazine
CID 22029328
(1R)-1-hexadecyl-2,3-dihydro-1H-indene
CID 98094176
(3R)-1-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)propyl]piperidine-3-carboxylic acid
CID 22869120
1-ethyl-2,3-dihydro-1H-indene
CID 20971
1-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalene
CID 15742901
1-methyl-4-[3-(6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-2-yl)propyl]piperazine
CID 163610270
1-[2-(2,3-dihydro-1H-inden-1-yl)ethyl]-3-methylbenzimidazol-2-one
CID 166350533
1-methyl-3-(3-pyrrolidin-1-ylpropyl)-2,3-dihydroindole
CID 58386589
2-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-ethylethanamine
CID 124705366
1-(2,3-dihydro-1H-inden-1-ylmethyl)pyrrolidine-3-carboxamide
CID 126798297
3-butyl-2,4,4a,5,6,10b-hexahydro-1H-benzo[f]isoquinoline
CID 19093629
1-[3-(2-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]-4-phenylpiperazine
CID 67806462

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,3-dihydro-1H-inden-1-yl)propyl]-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-[3-(2,3-dihydro-1H-inden-1-yl)propyl]-3,6-dihydro-2H-pyridine (CID 141001586) is 1-[3-(2,3-dihydro-1H-inden-1-yl)propyl]-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-[3-(2,3-dihydro-1H-inden-1-yl)propyl]-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-[3-(2,3-dihydro-1H-inden-1-yl)propyl]-3,6-dihydro-2H-pyridine is C1=CCN(CCCC2CCc3ccccc32)CC1.
What is the InChIKey of 1-[3-(2,3-dihydro-1H-inden-1-yl)propyl]-3,6-dihydro-2H-pyridine?
The InChIKey is GEAPGPSXTOCHJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N/c1-4-12-18(13-5-1)14-6-8-16-11-10-15-7-2-3-9-17(15)16/h1-4,7,9,16H,5-6,8,10-14H2.
What are the key properties of 1-[3-(2,3-dihydro-1H-inden-1-yl)propyl]-3,6-dihydro-2H-pyridine?
1-[3-(2,3-dihydro-1H-inden-1-yl)propyl]-3,6-dihydro-2H-pyridine has a molecular weight of 241.38 g/mol, XLogP of 3.76, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,3-dihydro-1H-inden-1-yl)propyl]-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 141001586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).