6-(3,6,6-trimethyl-5,7-dihydro-4H-indol-1-yl)isoquinolin-1-amine

C20H23N3 — CID 143636823

IUPAC6-(3,6,6-trimethyl-5,7-dihydro-4H-indol-1-yl)isoquinolin-1-amine
SMILESCc1cn(-c2ccc3c(N)nccc3c2)c2c1CCC(C)(C)C2
InChIInChI=1S/C20H23N3/c1-13-12-23(18-11-20(2,3)8-6-16(13)18)15-4-5-17-14(10-15)7-9-22-19(17)21/h4-5,7,9-10,12H,6,8,11H2,1-3H3,(H2,21,22)
InChIKeyGGLPSCYLCSTGGO-UHFFFAOYSA-N
MW305.43 g/mol
LogP4.43
Rot. Bonds1

About 6-(3,6,6-trimethyl-5,7-dihydro-4H-indol-1-yl)isoquinolin-1-amine

6-(3,6,6-trimethyl-5,7-dihydro-4H-indol-1-yl)isoquinolin-1-amine (PubChem CID 143636823) has the molecular formula C20H23N3 and a molecular weight of 305.43 g/mol. Its IUPAC name is 6-(3,6,6-trimethyl-5,7-dihydro-4H-indol-1-yl)isoquinolin-1-amine.

Molecular Properties

Compound Name6-(3,6,6-trimethyl-5,7-dihydro-4H-indol-1-yl)isoquinolin-1-amine
PubChem CID143636823
Molecular FormulaC20H23N3
Molecular Weight305.43 g/mol
Exact Mass305.19
IUPAC Name6-(3,6,6-trimethyl-5,7-dihydro-4H-indol-1-yl)isoquinolin-1-amine
SMILESCc1cn(-c2ccc3c(N)nccc3c2)c2c1CCC(C)(C)C2
InChIInChI=1S/C20H23N3/c1-13-12-23(18-11-20(2,3)8-6-16(13)18)15-4-5-17-14(10-15)7-9-22-19(17)21/h4-5,7,9-10,12H,6,8,11H2,1-3H3,(H2,21,22)
InChIKeyGGLPSCYLCSTGGO-UHFFFAOYSA-N
XLogP4.43
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.43
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(3,6,6-trimethyl-5,7-dihydro-4H-indol-1-yl)isoquinolin-1-amine?
The IUPAC name of 6-(3,6,6-trimethyl-5,7-dihydro-4H-indol-1-yl)isoquinolin-1-amine (CID 143636823) is 6-(3,6,6-trimethyl-5,7-dihydro-4H-indol-1-yl)isoquinolin-1-amine.
What is the SMILES notation for 6-(3,6,6-trimethyl-5,7-dihydro-4H-indol-1-yl)isoquinolin-1-amine?
The canonical SMILES for 6-(3,6,6-trimethyl-5,7-dihydro-4H-indol-1-yl)isoquinolin-1-amine is Cc1cn(-c2ccc3c(N)nccc3c2)c2c1CCC(C)(C)C2.
What is the InChIKey of 6-(3,6,6-trimethyl-5,7-dihydro-4H-indol-1-yl)isoquinolin-1-amine?
The InChIKey is GGLPSCYLCSTGGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3/c1-13-12-23(18-11-20(2,3)8-6-16(13)18)15-4-5-17-14(10-15)7-9-22-19(17)21/h4-5,7,9-10,12H,6,8,11H2,1-3H3,(H2,21,22).
What are the key properties of 6-(3,6,6-trimethyl-5,7-dihydro-4H-indol-1-yl)isoquinolin-1-amine?
6-(3,6,6-trimethyl-5,7-dihydro-4H-indol-1-yl)isoquinolin-1-amine has a molecular weight of 305.43 g/mol, XLogP of 4.43, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,6,6-trimethyl-5,7-dihydro-4H-indol-1-yl)isoquinolin-1-amine is sourced from PubChem (CID 143636823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).