3-(pyrrolidin-1-ylmethyl)-1,2,3,4-tetrahydroisoquinoline

C14H20N2 — CID 15697325

IUPAC3-(pyrrolidin-1-ylmethyl)-1,2,3,4-tetrahydroisoquinoline
SMILESc1ccc2c(c1)CNC(CN1CCCC1)C2
InChIInChI=1S/C14H20N2/c1-2-6-13-10-15-14(9-12(13)5-1)11-16-7-3-4-8-16/h1-2,5-6,14-15H,3-4,7-11H2
InChIKeyJTULUTNTMIIHOM-UHFFFAOYSA-N
MW216.33 g/mol
LogP1.80
Rot. Bonds2

About 3-(pyrrolidin-1-ylmethyl)-1,2,3,4-tetrahydroisoquinoline

3-(pyrrolidin-1-ylmethyl)-1,2,3,4-tetrahydroisoquinoline (PubChem CID 15697325) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is 3-(pyrrolidin-1-ylmethyl)-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name3-(pyrrolidin-1-ylmethyl)-1,2,3,4-tetrahydroisoquinoline
PubChem CID15697325
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Name3-(pyrrolidin-1-ylmethyl)-1,2,3,4-tetrahydroisoquinoline
SMILESc1ccc2c(c1)CNC(CN1CCCC1)C2
InChIInChI=1S/C14H20N2/c1-2-6-13-10-15-14(9-12(13)5-1)11-16-7-3-4-8-16/h1-2,5-6,14-15H,3-4,7-11H2
InChIKeyJTULUTNTMIIHOM-UHFFFAOYSA-N
XLogP1.80
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(pyrrolidin-1-ylmethyl)-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 3-(pyrrolidin-1-ylmethyl)-1,2,3,4-tetrahydroisoquinoline (CID 15697325) is 3-(pyrrolidin-1-ylmethyl)-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 3-(pyrrolidin-1-ylmethyl)-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 3-(pyrrolidin-1-ylmethyl)-1,2,3,4-tetrahydroisoquinoline is c1ccc2c(c1)CNC(CN1CCCC1)C2.
What is the InChIKey of 3-(pyrrolidin-1-ylmethyl)-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is JTULUTNTMIIHOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2/c1-2-6-13-10-15-14(9-12(13)5-1)11-16-7-3-4-8-16/h1-2,5-6,14-15H,3-4,7-11H2.
What are the key properties of 3-(pyrrolidin-1-ylmethyl)-1,2,3,4-tetrahydroisoquinoline?
3-(pyrrolidin-1-ylmethyl)-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 216.33 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(pyrrolidin-1-ylmethyl)-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 15697325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).