2-(1-naphthalen-2-ylcyclohexyl)pyrrolidine

C20H25N — CID 58954950

IUPAC2-(1-naphthalen-2-ylcyclohexyl)pyrrolidine
SMILESc1ccc2cc(C3(C4CCCN4)CCCCC3)ccc2c1
InChIInChI=1S/C20H25N/c1-4-12-20(13-5-1,19-9-6-14-21-19)18-11-10-16-7-2-3-8-17(16)15-18/h2-3,7-8,10-11,15,19,21H,1,4-6,9,12-14H2
InChIKeyYBGWLDSKEUEPKA-UHFFFAOYSA-N
MW279.43 g/mol
LogP4.79
Rot. Bonds2

About 2-(1-naphthalen-2-ylcyclohexyl)pyrrolidine

2-(1-naphthalen-2-ylcyclohexyl)pyrrolidine (PubChem CID 58954950) has the molecular formula C20H25N and a molecular weight of 279.43 g/mol. Its IUPAC name is 2-(1-naphthalen-2-ylcyclohexyl)pyrrolidine.

Molecular Properties

Compound Name2-(1-naphthalen-2-ylcyclohexyl)pyrrolidine
PubChem CID58954950
Molecular FormulaC20H25N
Molecular Weight279.43 g/mol
Exact Mass279.20
IUPAC Name2-(1-naphthalen-2-ylcyclohexyl)pyrrolidine
SMILESc1ccc2cc(C3(C4CCCN4)CCCCC3)ccc2c1
InChIInChI=1S/C20H25N/c1-4-12-20(13-5-1,19-9-6-14-21-19)18-11-10-16-7-2-3-8-17(16)15-18/h2-3,7-8,10-11,15,19,21H,1,4-6,9,12-14H2
InChIKeyYBGWLDSKEUEPKA-UHFFFAOYSA-N
XLogP4.79
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(1-naphthalen-2-ylcyclohexyl)pyrrolidine?
The IUPAC name of 2-(1-naphthalen-2-ylcyclohexyl)pyrrolidine (CID 58954950) is 2-(1-naphthalen-2-ylcyclohexyl)pyrrolidine.
What is the SMILES notation for 2-(1-naphthalen-2-ylcyclohexyl)pyrrolidine?
The canonical SMILES for 2-(1-naphthalen-2-ylcyclohexyl)pyrrolidine is c1ccc2cc(C3(C4CCCN4)CCCCC3)ccc2c1.
What is the InChIKey of 2-(1-naphthalen-2-ylcyclohexyl)pyrrolidine?
The InChIKey is YBGWLDSKEUEPKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N/c1-4-12-20(13-5-1,19-9-6-14-21-19)18-11-10-16-7-2-3-8-17(16)15-18/h2-3,7-8,10-11,15,19,21H,1,4-6,9,12-14H2.
What are the key properties of 2-(1-naphthalen-2-ylcyclohexyl)pyrrolidine?
2-(1-naphthalen-2-ylcyclohexyl)pyrrolidine has a molecular weight of 279.43 g/mol, XLogP of 4.79, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-naphthalen-2-ylcyclohexyl)pyrrolidine is sourced from PubChem (CID 58954950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).