(2S)-7-[[[(2S)-5-isoquinolin-5-yl-1,2,3,4-tetrahydronaphthalen-2-yl]-methylamino]methyl]-N,N-dimethyl-5-naphthalen-1-yl-1,2,3,4-tetrahydronaphthalen-2-amine

C43H43N3 — CID 170355441

IUPAC(2S)-7-[[[(2S)-5-isoquinolin-5-yl-1,2,3,4-tetrahydronaphthalen-2-yl]-methylamino]methyl]-N,N-dimethyl-5-naphthalen-1-yl-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCN(C)[C@H]1CCc2c(cc(CN(C)[C@H]3CCc4c(cccc4-c4cccc5cnccc45)C3)cc2-c2cccc3ccccc23)C1
InChIInChI=1S/C43H43N3/c1-45(2)34-17-19-38-33(26-34)23-29(24-43(38)42-16-6-10-30-9-4-5-13-36(30)42)28-46(3)35-18-20-37-31(25-35)11-7-14-40(37)41-15-8-12-32-27-44-22-21-39(32)41/h4-16,21-24,27,34-35H,17-20,25-26,28H2,1-3H3/t34-,35-/m0/s1
InChIKeyIHQPVHJNURXVEN-PXLJZGITSA-N
MW601.84 g/mol
LogP9.13
Rot. Bonds6

About (2S)-7-[[[(2S)-5-isoquinolin-5-yl-1,2,3,4-tetrahydronaphthalen-2-yl]-methylamino]methyl]-N,N-dimethyl-5-naphthalen-1-yl-1,2,3,4-tetrahydronaphthalen-2-amine

(2S)-7-[[[(2S)-5-isoquinolin-5-yl-1,2,3,4-tetrahydronaphthalen-2-yl]-methylamino]methyl]-N,N-dimethyl-5-naphthalen-1-yl-1,2,3,4-tetrahydronaphthalen-2-amine (PubChem CID 170355441) has the molecular formula C43H43N3 and a molecular weight of 601.84 g/mol. Its IUPAC name is (2S)-7-[[[(2S)-5-isoquinolin-5-yl-1,2,3,4-tetrahydronaphthalen-2-yl]-methylamino]methyl]-N,N-dimethyl-5-naphthalen-1-yl-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound Name(2S)-7-[[[(2S)-5-isoquinolin-5-yl-1,2,3,4-tetrahydronaphthalen-2-yl]-methylamino]methyl]-N,N-dimethyl-5-naphthalen-1-yl-1,2,3,4-tetrahydronaphthalen-2-amine
PubChem CID170355441
Molecular FormulaC43H43N3
Molecular Weight601.84 g/mol
Exact Mass601.35
IUPAC Name(2S)-7-[[[(2S)-5-isoquinolin-5-yl-1,2,3,4-tetrahydronaphthalen-2-yl]-methylamino]methyl]-N,N-dimethyl-5-naphthalen-1-yl-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCN(C)[C@H]1CCc2c(cc(CN(C)[C@H]3CCc4c(cccc4-c4cccc5cnccc45)C3)cc2-c2cccc3ccccc23)C1
InChIInChI=1S/C43H43N3/c1-45(2)34-17-19-38-33(26-34)23-29(24-43(38)42-16-6-10-30-9-4-5-13-36(30)42)28-46(3)35-18-20-37-31(25-35)11-7-14-40(37)41-15-8-12-32-27-44-22-21-39(32)41/h4-16,21-24,27,34-35H,17-20,25-26,28H2,1-3H3/t34-,35-/m0/s1
InChIKeyIHQPVHJNURXVEN-PXLJZGITSA-N
XLogP9.13
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500601.84
LogP ≤ 59.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (2S)-7-[[[(2S)-5-isoquinolin-5-yl-1,2,3,4-tetrahydronaphthalen-2-yl]-methylamino]methyl]-N,N-dimethyl-5-naphthalen-1-yl-1,2,3,4-tetrahydronaphthalen-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S)-7-[[[(2S)-5-isoquinolin-5-yl-1,2,3,4-tetrahydronaphthalen-2-yl]-methylamino]methyl]-N,N-dimethyl-5-naphthalen-1-yl-1,2,3,4-tetrahydronaphthalen-2-amine?
The IUPAC name of (2S)-7-[[[(2S)-5-isoquinolin-5-yl-1,2,3,4-tetrahydronaphthalen-2-yl]-methylamino]methyl]-N,N-dimethyl-5-naphthalen-1-yl-1,2,3,4-tetrahydronaphthalen-2-amine (CID 170355441) is (2S)-7-[[[(2S)-5-isoquinolin-5-yl-1,2,3,4-tetrahydronaphthalen-2-yl]-methylamino]methyl]-N,N-dimethyl-5-naphthalen-1-yl-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for (2S)-7-[[[(2S)-5-isoquinolin-5-yl-1,2,3,4-tetrahydronaphthalen-2-yl]-methylamino]methyl]-N,N-dimethyl-5-naphthalen-1-yl-1,2,3,4-tetrahydronaphthalen-2-amine?
The canonical SMILES for (2S)-7-[[[(2S)-5-isoquinolin-5-yl-1,2,3,4-tetrahydronaphthalen-2-yl]-methylamino]methyl]-N,N-dimethyl-5-naphthalen-1-yl-1,2,3,4-tetrahydronaphthalen-2-amine is CN(C)[C@H]1CCc2c(cc(CN(C)[C@H]3CCc4c(cccc4-c4cccc5cnccc45)C3)cc2-c2cccc3ccccc23)C1.
What is the InChIKey of (2S)-7-[[[(2S)-5-isoquinolin-5-yl-1,2,3,4-tetrahydronaphthalen-2-yl]-methylamino]methyl]-N,N-dimethyl-5-naphthalen-1-yl-1,2,3,4-tetrahydronaphthalen-2-amine?
The InChIKey is IHQPVHJNURXVEN-PXLJZGITSA-N. The full InChI is InChI=1S/C43H43N3/c1-45(2)34-17-19-38-33(26-34)23-29(24-43(38)42-16-6-10-30-9-4-5-13-36(30)42)28-46(3)35-18-20-37-31(25-35)11-7-14-40(37)41-15-8-12-32-27-44-22-21-39(32)41/h4-16,21-24,27,34-35H,17-20,25-26,28H2,1-3H3/t34-,35-/m0/s1.
What are the key properties of (2S)-7-[[[(2S)-5-isoquinolin-5-yl-1,2,3,4-tetrahydronaphthalen-2-yl]-methylamino]methyl]-N,N-dimethyl-5-naphthalen-1-yl-1,2,3,4-tetrahydronaphthalen-2-amine?
(2S)-7-[[[(2S)-5-isoquinolin-5-yl-1,2,3,4-tetrahydronaphthalen-2-yl]-methylamino]methyl]-N,N-dimethyl-5-naphthalen-1-yl-1,2,3,4-tetrahydronaphthalen-2-amine has a molecular weight of 601.84 g/mol, XLogP of 9.13, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-7-[[[(2S)-5-isoquinolin-5-yl-1,2,3,4-tetrahydronaphthalen-2-yl]-methylamino]methyl]-N,N-dimethyl-5-naphthalen-1-yl-1,2,3,4-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 170355441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).