2-[2-(6,7-dimethyl-3,4-dihydronaphthalen-2-yl)ethyl]pyrrolidine

C18H25N — CID 174394471

IUPAC2-[2-(6,7-dimethyl-3,4-dihydronaphthalen-2-yl)ethyl]pyrrolidine
SMILESCc1cc2c(cc1C)CCC(CCC1CCCN1)=C2
InChIInChI=1S/C18H25N/c1-13-10-16-7-5-15(12-17(16)11-14(13)2)6-8-18-4-3-9-19-18/h10-12,18-19H,3-9H2,1-2H3
InChIKeyWGQLZIDANUCQRI-UHFFFAOYSA-N
MW255.41 g/mol
LogP4.17
Rot. Bonds3

About 2-[2-(6,7-dimethyl-3,4-dihydronaphthalen-2-yl)ethyl]pyrrolidine

2-[2-(6,7-dimethyl-3,4-dihydronaphthalen-2-yl)ethyl]pyrrolidine (PubChem CID 174394471) has the molecular formula C18H25N and a molecular weight of 255.41 g/mol. Its IUPAC name is 2-[2-(6,7-dimethyl-3,4-dihydronaphthalen-2-yl)ethyl]pyrrolidine.

Molecular Properties

Compound Name2-[2-(6,7-dimethyl-3,4-dihydronaphthalen-2-yl)ethyl]pyrrolidine
PubChem CID174394471
Molecular FormulaC18H25N
Molecular Weight255.41 g/mol
Exact Mass255.20
IUPAC Name2-[2-(6,7-dimethyl-3,4-dihydronaphthalen-2-yl)ethyl]pyrrolidine
SMILESCc1cc2c(cc1C)CCC(CCC1CCCN1)=C2
InChIInChI=1S/C18H25N/c1-13-10-16-7-5-15(12-17(16)11-14(13)2)6-8-18-4-3-9-19-18/h10-12,18-19H,3-9H2,1-2H3
InChIKeyWGQLZIDANUCQRI-UHFFFAOYSA-N
XLogP4.17
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(6,7-dimethyl-3,4-dihydronaphthalen-2-yl)ethyl]pyrrolidine?
The IUPAC name of 2-[2-(6,7-dimethyl-3,4-dihydronaphthalen-2-yl)ethyl]pyrrolidine (CID 174394471) is 2-[2-(6,7-dimethyl-3,4-dihydronaphthalen-2-yl)ethyl]pyrrolidine.
What is the SMILES notation for 2-[2-(6,7-dimethyl-3,4-dihydronaphthalen-2-yl)ethyl]pyrrolidine?
The canonical SMILES for 2-[2-(6,7-dimethyl-3,4-dihydronaphthalen-2-yl)ethyl]pyrrolidine is Cc1cc2c(cc1C)CCC(CCC1CCCN1)=C2.
What is the InChIKey of 2-[2-(6,7-dimethyl-3,4-dihydronaphthalen-2-yl)ethyl]pyrrolidine?
The InChIKey is WGQLZIDANUCQRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N/c1-13-10-16-7-5-15(12-17(16)11-14(13)2)6-8-18-4-3-9-19-18/h10-12,18-19H,3-9H2,1-2H3.
What are the key properties of 2-[2-(6,7-dimethyl-3,4-dihydronaphthalen-2-yl)ethyl]pyrrolidine?
2-[2-(6,7-dimethyl-3,4-dihydronaphthalen-2-yl)ethyl]pyrrolidine has a molecular weight of 255.41 g/mol, XLogP of 4.17, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(6,7-dimethyl-3,4-dihydronaphthalen-2-yl)ethyl]pyrrolidine is sourced from PubChem (CID 174394471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).