(8S)-N-(isoquinolin-3-ylmethyl)-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine

C20H21N3 — CID 46888706

IUPAC(8S)-N-(isoquinolin-3-ylmethyl)-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine
SMILESCN(Cc1cc2ccccc2cn1)[C@H]1CCCc2cccnc21
InChIInChI=1S/C20H21N3/c1-23(19-10-4-8-15-9-5-11-21-20(15)19)14-18-12-16-6-2-3-7-17(16)13-22-18/h2-3,5-7,9,11-13,19H,4,8,10,14H2,1H3/t19-/m0/s1
InChIKeyBJTXLCCSVUXXFC-IBGZPJMESA-N
MW303.41 g/mol
LogP4.14
Rot. Bonds3

About (8S)-N-(isoquinolin-3-ylmethyl)-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine

(8S)-N-(isoquinolin-3-ylmethyl)-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine (PubChem CID 46888706) has the molecular formula C20H21N3 and a molecular weight of 303.41 g/mol. Its IUPAC name is (8S)-N-(isoquinolin-3-ylmethyl)-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine.

Molecular Properties

Compound Name(8S)-N-(isoquinolin-3-ylmethyl)-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine
PubChem CID46888706
Molecular FormulaC20H21N3
Molecular Weight303.41 g/mol
Exact Mass303.17
IUPAC Name(8S)-N-(isoquinolin-3-ylmethyl)-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine
SMILESCN(Cc1cc2ccccc2cn1)[C@H]1CCCc2cccnc21
InChIInChI=1S/C20H21N3/c1-23(19-10-4-8-15-9-5-11-21-20(15)19)14-18-12-16-6-2-3-7-17(16)13-22-18/h2-3,5-7,9,11-13,19H,4,8,10,14H2,1H3/t19-/m0/s1
InChIKeyBJTXLCCSVUXXFC-IBGZPJMESA-N
XLogP4.14
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (8S)-N-(isoquinolin-3-ylmethyl)-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine?
The IUPAC name of (8S)-N-(isoquinolin-3-ylmethyl)-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine (CID 46888706) is (8S)-N-(isoquinolin-3-ylmethyl)-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine.
What is the SMILES notation for (8S)-N-(isoquinolin-3-ylmethyl)-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine?
The canonical SMILES for (8S)-N-(isoquinolin-3-ylmethyl)-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine is CN(Cc1cc2ccccc2cn1)[C@H]1CCCc2cccnc21.
What is the InChIKey of (8S)-N-(isoquinolin-3-ylmethyl)-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine?
The InChIKey is BJTXLCCSVUXXFC-IBGZPJMESA-N. The full InChI is InChI=1S/C20H21N3/c1-23(19-10-4-8-15-9-5-11-21-20(15)19)14-18-12-16-6-2-3-7-17(16)13-22-18/h2-3,5-7,9,11-13,19H,4,8,10,14H2,1H3/t19-/m0/s1.
What are the key properties of (8S)-N-(isoquinolin-3-ylmethyl)-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine?
(8S)-N-(isoquinolin-3-ylmethyl)-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine has a molecular weight of 303.41 g/mol, XLogP of 4.14, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-N-(isoquinolin-3-ylmethyl)-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine is sourced from PubChem (CID 46888706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).