4-(2,2-dimethylpyrrolidin-1-yl)-1,2,3,4-tetrahydroisoquinoline

C15H22N2 — CID 63938983

IUPAC4-(2,2-dimethylpyrrolidin-1-yl)-1,2,3,4-tetrahydroisoquinoline
SMILESCC1(C)CCCN1C1CNCc2ccccc21
InChIInChI=1S/C15H22N2/c1-15(2)8-5-9-17(15)14-11-16-10-12-6-3-4-7-13(12)14/h3-4,6-7,14,16H,5,8-11H2,1-2H3
InChIKeyOPCAPVZUDGHIFA-UHFFFAOYSA-N
MW230.35 g/mol
LogP2.71
Rot. Bonds1

About 4-(2,2-dimethylpyrrolidin-1-yl)-1,2,3,4-tetrahydroisoquinoline

4-(2,2-dimethylpyrrolidin-1-yl)-1,2,3,4-tetrahydroisoquinoline (PubChem CID 63938983) has the molecular formula C15H22N2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 4-(2,2-dimethylpyrrolidin-1-yl)-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name4-(2,2-dimethylpyrrolidin-1-yl)-1,2,3,4-tetrahydroisoquinoline
PubChem CID63938983
Molecular FormulaC15H22N2
Molecular Weight230.35 g/mol
Exact Mass230.18
IUPAC Name4-(2,2-dimethylpyrrolidin-1-yl)-1,2,3,4-tetrahydroisoquinoline
SMILESCC1(C)CCCN1C1CNCc2ccccc21
InChIInChI=1S/C15H22N2/c1-15(2)8-5-9-17(15)14-11-16-10-12-6-3-4-7-13(12)14/h3-4,6-7,14,16H,5,8-11H2,1-2H3
InChIKeyOPCAPVZUDGHIFA-UHFFFAOYSA-N
XLogP2.71
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 ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylpyrrolidin-1-yl)-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 4-(2,2-dimethylpyrrolidin-1-yl)-1,2,3,4-tetrahydroisoquinoline (CID 63938983) is 4-(2,2-dimethylpyrrolidin-1-yl)-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 4-(2,2-dimethylpyrrolidin-1-yl)-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 4-(2,2-dimethylpyrrolidin-1-yl)-1,2,3,4-tetrahydroisoquinoline is CC1(C)CCCN1C1CNCc2ccccc21.
What is the InChIKey of 4-(2,2-dimethylpyrrolidin-1-yl)-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is OPCAPVZUDGHIFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2/c1-15(2)8-5-9-17(15)14-11-16-10-12-6-3-4-7-13(12)14/h3-4,6-7,14,16H,5,8-11H2,1-2H3.
What are the key properties of 4-(2,2-dimethylpyrrolidin-1-yl)-1,2,3,4-tetrahydroisoquinoline?
4-(2,2-dimethylpyrrolidin-1-yl)-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 230.35 g/mol, XLogP of 2.71, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylpyrrolidin-1-yl)-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 63938983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).