8-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]-1,2,3,4-tetrahydroquinoline

C15H22N2 — CID 51723233

IUPAC8-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]-1,2,3,4-tetrahydroquinoline
SMILESC[C@@H]1CC[C@H](C)N1c1cccc2c1NCCC2
InChIInChI=1S/C15H22N2/c1-11-8-9-12(2)17(11)14-7-3-5-13-6-4-10-16-15(13)14/h3,5,7,11-12,16H,4,6,8-10H2,1-2H3/t11-,12+
InChIKeyJYBQETGVRAXPQJ-TXEJJXNPSA-N
MW230.35 g/mol
LogP3.42
Rot. Bonds1

About 8-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]-1,2,3,4-tetrahydroquinoline

8-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]-1,2,3,4-tetrahydroquinoline (PubChem CID 51723233) has the molecular formula C15H22N2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 8-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name8-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]-1,2,3,4-tetrahydroquinoline
PubChem CID51723233
Molecular FormulaC15H22N2
Molecular Weight230.35 g/mol
Exact Mass230.18
IUPAC Name8-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]-1,2,3,4-tetrahydroquinoline
SMILESC[C@@H]1CC[C@H](C)N1c1cccc2c1NCCC2
InChIInChI=1S/C15H22N2/c1-11-8-9-12(2)17(11)14-7-3-5-13-6-4-10-16-15(13)14/h3,5,7,11-12,16H,4,6,8-10H2,1-2H3/t11-,12+
InChIKeyJYBQETGVRAXPQJ-TXEJJXNPSA-N
XLogP3.42
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 8-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]-1,2,3,4-tetrahydroquinoline (CID 51723233) is 8-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 8-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 8-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]-1,2,3,4-tetrahydroquinoline is C[C@@H]1CC[C@H](C)N1c1cccc2c1NCCC2.
What is the InChIKey of 8-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]-1,2,3,4-tetrahydroquinoline?
The InChIKey is JYBQETGVRAXPQJ-TXEJJXNPSA-N. The full InChI is InChI=1S/C15H22N2/c1-11-8-9-12(2)17(11)14-7-3-5-13-6-4-10-16-15(13)14/h3,5,7,11-12,16H,4,6,8-10H2,1-2H3/t11-,12+.
What are the key properties of 8-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]-1,2,3,4-tetrahydroquinoline?
8-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]-1,2,3,4-tetrahydroquinoline has a molecular weight of 230.35 g/mol, XLogP of 3.42, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 51723233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).