3-(4,4a,5,6-tetrahydronaphthalen-2-yl)-1-methylpyrrolidine

C15H21N — CID 57226040

IUPAC3-(4,4a,5,6-tetrahydronaphthalen-2-yl)-1-methylpyrrolidine
SMILESCN1CCC(C2=CCC3CCC=CC3=C2)C1
InChIInChI=1S/C15H21N/c1-16-9-8-15(11-16)14-7-6-12-4-2-3-5-13(12)10-14/h3,5,7,10,12,15H,2,4,6,8-9,11H2,1H3
InChIKeyMNIHKGNUGCQJCY-UHFFFAOYSA-N
MW215.34 g/mol
LogP3.16
Rot. Bonds1

About 3-(4,4a,5,6-tetrahydronaphthalen-2-yl)-1-methylpyrrolidine

3-(4,4a,5,6-tetrahydronaphthalen-2-yl)-1-methylpyrrolidine (PubChem CID 57226040) has the molecular formula C15H21N and a molecular weight of 215.34 g/mol. Its IUPAC name is 3-(4,4a,5,6-tetrahydronaphthalen-2-yl)-1-methylpyrrolidine.

Molecular Properties

Compound Name3-(4,4a,5,6-tetrahydronaphthalen-2-yl)-1-methylpyrrolidine
PubChem CID57226040
Molecular FormulaC15H21N
Molecular Weight215.34 g/mol
Exact Mass215.17
IUPAC Name3-(4,4a,5,6-tetrahydronaphthalen-2-yl)-1-methylpyrrolidine
SMILESCN1CCC(C2=CCC3CCC=CC3=C2)C1
InChIInChI=1S/C15H21N/c1-16-9-8-15(11-16)14-7-6-12-4-2-3-5-13(12)10-14/h3,5,7,10,12,15H,2,4,6,8-9,11H2,1H3
InChIKeyMNIHKGNUGCQJCY-UHFFFAOYSA-N
XLogP3.16
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(4,4a,5,6-tetrahydronaphthalen-2-yl)-1-methylpyrrolidine?
The IUPAC name of 3-(4,4a,5,6-tetrahydronaphthalen-2-yl)-1-methylpyrrolidine (CID 57226040) is 3-(4,4a,5,6-tetrahydronaphthalen-2-yl)-1-methylpyrrolidine.
What is the SMILES notation for 3-(4,4a,5,6-tetrahydronaphthalen-2-yl)-1-methylpyrrolidine?
The canonical SMILES for 3-(4,4a,5,6-tetrahydronaphthalen-2-yl)-1-methylpyrrolidine is CN1CCC(C2=CCC3CCC=CC3=C2)C1.
What is the InChIKey of 3-(4,4a,5,6-tetrahydronaphthalen-2-yl)-1-methylpyrrolidine?
The InChIKey is MNIHKGNUGCQJCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N/c1-16-9-8-15(11-16)14-7-6-12-4-2-3-5-13(12)10-14/h3,5,7,10,12,15H,2,4,6,8-9,11H2,1H3.
What are the key properties of 3-(4,4a,5,6-tetrahydronaphthalen-2-yl)-1-methylpyrrolidine?
3-(4,4a,5,6-tetrahydronaphthalen-2-yl)-1-methylpyrrolidine has a molecular weight of 215.34 g/mol, XLogP of 3.16, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,4a,5,6-tetrahydronaphthalen-2-yl)-1-methylpyrrolidine is sourced from PubChem (CID 57226040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).