6-(1-cyclopentylethyl)-3,8-dimethyl-3,4,8,8a-tetrahydroisoquinoline

C18H27N — CID 146492572

IUPAC6-(1-cyclopentylethyl)-3,8-dimethyl-3,4,8,8a-tetrahydroisoquinoline
SMILESCC1CC2=CC(C(C)C3CCCC3)=CC(C)C2C=N1
InChIInChI=1S/C18H27N/c1-12-8-16(14(3)15-6-4-5-7-15)10-17-9-13(2)19-11-18(12)17/h8,10-15,18H,4-7,9H2,1-3H3
InChIKeyLCLNTJZJHOFJRV-UHFFFAOYSA-N
MW257.42 g/mol
LogP4.79
Rot. Bonds2

About 6-(1-cyclopentylethyl)-3,8-dimethyl-3,4,8,8a-tetrahydroisoquinoline

6-(1-cyclopentylethyl)-3,8-dimethyl-3,4,8,8a-tetrahydroisoquinoline (PubChem CID 146492572) has the molecular formula C18H27N and a molecular weight of 257.42 g/mol. Its IUPAC name is 6-(1-cyclopentylethyl)-3,8-dimethyl-3,4,8,8a-tetrahydroisoquinoline.

Molecular Properties

Compound Name6-(1-cyclopentylethyl)-3,8-dimethyl-3,4,8,8a-tetrahydroisoquinoline
PubChem CID146492572
Molecular FormulaC18H27N
Molecular Weight257.42 g/mol
Exact Mass257.21
IUPAC Name6-(1-cyclopentylethyl)-3,8-dimethyl-3,4,8,8a-tetrahydroisoquinoline
SMILESCC1CC2=CC(C(C)C3CCCC3)=CC(C)C2C=N1
InChIInChI=1S/C18H27N/c1-12-8-16(14(3)15-6-4-5-7-15)10-17-9-13(2)19-11-18(12)17/h8,10-15,18H,4-7,9H2,1-3H3
InChIKeyLCLNTJZJHOFJRV-UHFFFAOYSA-N
XLogP4.79
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-(1-cyclopentylethyl)-3,8-dimethyl-3,4,8,8a-tetrahydroisoquinoline?
The IUPAC name of 6-(1-cyclopentylethyl)-3,8-dimethyl-3,4,8,8a-tetrahydroisoquinoline (CID 146492572) is 6-(1-cyclopentylethyl)-3,8-dimethyl-3,4,8,8a-tetrahydroisoquinoline.
What is the SMILES notation for 6-(1-cyclopentylethyl)-3,8-dimethyl-3,4,8,8a-tetrahydroisoquinoline?
The canonical SMILES for 6-(1-cyclopentylethyl)-3,8-dimethyl-3,4,8,8a-tetrahydroisoquinoline is CC1CC2=CC(C(C)C3CCCC3)=CC(C)C2C=N1.
What is the InChIKey of 6-(1-cyclopentylethyl)-3,8-dimethyl-3,4,8,8a-tetrahydroisoquinoline?
The InChIKey is LCLNTJZJHOFJRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N/c1-12-8-16(14(3)15-6-4-5-7-15)10-17-9-13(2)19-11-18(12)17/h8,10-15,18H,4-7,9H2,1-3H3.
What are the key properties of 6-(1-cyclopentylethyl)-3,8-dimethyl-3,4,8,8a-tetrahydroisoquinoline?
6-(1-cyclopentylethyl)-3,8-dimethyl-3,4,8,8a-tetrahydroisoquinoline has a molecular weight of 257.42 g/mol, XLogP of 4.79, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-cyclopentylethyl)-3,8-dimethyl-3,4,8,8a-tetrahydroisoquinoline is sourced from PubChem (CID 146492572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).