1,5-dimethyl-3-(1,2,3,4-tetrahydroquinolin-2-yl)pyrrolidin-3-ol

C15H22N2O — CID 81467423

IUPAC1,5-dimethyl-3-(1,2,3,4-tetrahydroquinolin-2-yl)pyrrolidin-3-ol
SMILESCC1CC(O)(C2CCc3ccccc3N2)CN1C
InChIInChI=1S/C15H22N2O/c1-11-9-15(18,10-17(11)2)14-8-7-12-5-3-4-6-13(12)16-14/h3-6,11,14,16,18H,7-10H2,1-2H3
InChIKeyKJBMXGNNMYSMLE-UHFFFAOYSA-N
MW246.35 g/mol
LogP1.87
Rot. Bonds1

About 1,5-dimethyl-3-(1,2,3,4-tetrahydroquinolin-2-yl)pyrrolidin-3-ol

1,5-dimethyl-3-(1,2,3,4-tetrahydroquinolin-2-yl)pyrrolidin-3-ol (PubChem CID 81467423) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 1,5-dimethyl-3-(1,2,3,4-tetrahydroquinolin-2-yl)pyrrolidin-3-ol.

Molecular Properties

Compound Name1,5-dimethyl-3-(1,2,3,4-tetrahydroquinolin-2-yl)pyrrolidin-3-ol
PubChem CID81467423
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name1,5-dimethyl-3-(1,2,3,4-tetrahydroquinolin-2-yl)pyrrolidin-3-ol
SMILESCC1CC(O)(C2CCc3ccccc3N2)CN1C
InChIInChI=1S/C15H22N2O/c1-11-9-15(18,10-17(11)2)14-8-7-12-5-3-4-6-13(12)16-14/h3-6,11,14,16,18H,7-10H2,1-2H3
InChIKeyKJBMXGNNMYSMLE-UHFFFAOYSA-N
XLogP1.87
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-3-(1,2,3,4-tetrahydroquinolin-2-yl)pyrrolidin-3-ol?
The IUPAC name of 1,5-dimethyl-3-(1,2,3,4-tetrahydroquinolin-2-yl)pyrrolidin-3-ol (CID 81467423) is 1,5-dimethyl-3-(1,2,3,4-tetrahydroquinolin-2-yl)pyrrolidin-3-ol.
What is the SMILES notation for 1,5-dimethyl-3-(1,2,3,4-tetrahydroquinolin-2-yl)pyrrolidin-3-ol?
The canonical SMILES for 1,5-dimethyl-3-(1,2,3,4-tetrahydroquinolin-2-yl)pyrrolidin-3-ol is CC1CC(O)(C2CCc3ccccc3N2)CN1C.
What is the InChIKey of 1,5-dimethyl-3-(1,2,3,4-tetrahydroquinolin-2-yl)pyrrolidin-3-ol?
The InChIKey is KJBMXGNNMYSMLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-11-9-15(18,10-17(11)2)14-8-7-12-5-3-4-6-13(12)16-14/h3-6,11,14,16,18H,7-10H2,1-2H3.
What are the key properties of 1,5-dimethyl-3-(1,2,3,4-tetrahydroquinolin-2-yl)pyrrolidin-3-ol?
1,5-dimethyl-3-(1,2,3,4-tetrahydroquinolin-2-yl)pyrrolidin-3-ol has a molecular weight of 246.35 g/mol, XLogP of 1.87, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-3-(1,2,3,4-tetrahydroquinolin-2-yl)pyrrolidin-3-ol is sourced from PubChem (CID 81467423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).