1-(2-methyl-3,4-dihydro-1H-isoquinolin-8-yl)cyclopentan-1-amine

C15H22N2 — CID 84793990

IUPAC1-(2-methyl-3,4-dihydro-1H-isoquinolin-8-yl)cyclopentan-1-amine
SMILESCN1CCc2cccc(C3(N)CCCC3)c2C1
InChIInChI=1S/C15H22N2/c1-17-10-7-12-5-4-6-14(13(12)11-17)15(16)8-2-3-9-15/h4-6H,2-3,7-11,16H2,1H3
InChIKeyGYAHFRQTYUYSMJ-UHFFFAOYSA-N
MW230.35 g/mol
LogP2.40
Rot. Bonds1

About 1-(2-methyl-3,4-dihydro-1H-isoquinolin-8-yl)cyclopentan-1-amine

1-(2-methyl-3,4-dihydro-1H-isoquinolin-8-yl)cyclopentan-1-amine (PubChem CID 84793990) has the molecular formula C15H22N2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 1-(2-methyl-3,4-dihydro-1H-isoquinolin-8-yl)cyclopentan-1-amine.

Molecular Properties

Compound Name1-(2-methyl-3,4-dihydro-1H-isoquinolin-8-yl)cyclopentan-1-amine
PubChem CID84793990
Molecular FormulaC15H22N2
Molecular Weight230.35 g/mol
Exact Mass230.18
IUPAC Name1-(2-methyl-3,4-dihydro-1H-isoquinolin-8-yl)cyclopentan-1-amine
SMILESCN1CCc2cccc(C3(N)CCCC3)c2C1
InChIInChI=1S/C15H22N2/c1-17-10-7-12-5-4-6-14(13(12)11-17)15(16)8-2-3-9-15/h4-6H,2-3,7-11,16H2,1H3
InChIKeyGYAHFRQTYUYSMJ-UHFFFAOYSA-N
XLogP2.40
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-3,4-dihydro-1H-isoquinolin-8-yl)cyclopentan-1-amine?
The IUPAC name of 1-(2-methyl-3,4-dihydro-1H-isoquinolin-8-yl)cyclopentan-1-amine (CID 84793990) is 1-(2-methyl-3,4-dihydro-1H-isoquinolin-8-yl)cyclopentan-1-amine.
What is the SMILES notation for 1-(2-methyl-3,4-dihydro-1H-isoquinolin-8-yl)cyclopentan-1-amine?
The canonical SMILES for 1-(2-methyl-3,4-dihydro-1H-isoquinolin-8-yl)cyclopentan-1-amine is CN1CCc2cccc(C3(N)CCCC3)c2C1.
What is the InChIKey of 1-(2-methyl-3,4-dihydro-1H-isoquinolin-8-yl)cyclopentan-1-amine?
The InChIKey is GYAHFRQTYUYSMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2/c1-17-10-7-12-5-4-6-14(13(12)11-17)15(16)8-2-3-9-15/h4-6H,2-3,7-11,16H2,1H3.
What are the key properties of 1-(2-methyl-3,4-dihydro-1H-isoquinolin-8-yl)cyclopentan-1-amine?
1-(2-methyl-3,4-dihydro-1H-isoquinolin-8-yl)cyclopentan-1-amine has a molecular weight of 230.35 g/mol, XLogP of 2.40, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-3,4-dihydro-1H-isoquinolin-8-yl)cyclopentan-1-amine is sourced from PubChem (CID 84793990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).