(8S)-N,N-dimethyl-5,6,7,8-tetrahydroisoquinolin-8-amine

C11H16N2 — CID 92846477

IUPAC(8S)-N,N-dimethyl-5,6,7,8-tetrahydroisoquinolin-8-amine
SMILESCN(C)[C@H]1CCCc2ccncc21
InChIInChI=1S/C11H16N2/c1-13(2)11-5-3-4-9-6-7-12-8-10(9)11/h6-8,11H,3-5H2,1-2H3/t11-/m0/s1
InChIKeyNIYRJBGYQWFLAO-NSHDSACASA-N
MW176.26 g/mol
LogP2.02
Rot. Bonds1

About (8S)-N,N-dimethyl-5,6,7,8-tetrahydroisoquinolin-8-amine

(8S)-N,N-dimethyl-5,6,7,8-tetrahydroisoquinolin-8-amine (PubChem CID 92846477) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is (8S)-N,N-dimethyl-5,6,7,8-tetrahydroisoquinolin-8-amine.

Molecular Properties

Compound Name(8S)-N,N-dimethyl-5,6,7,8-tetrahydroisoquinolin-8-amine
PubChem CID92846477
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name(8S)-N,N-dimethyl-5,6,7,8-tetrahydroisoquinolin-8-amine
SMILESCN(C)[C@H]1CCCc2ccncc21
InChIInChI=1S/C11H16N2/c1-13(2)11-5-3-4-9-6-7-12-8-10(9)11/h6-8,11H,3-5H2,1-2H3/t11-/m0/s1
InChIKeyNIYRJBGYQWFLAO-NSHDSACASA-N
XLogP2.02
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (8S)-N,N-dimethyl-5,6,7,8-tetrahydroisoquinolin-8-amine?
The IUPAC name of (8S)-N,N-dimethyl-5,6,7,8-tetrahydroisoquinolin-8-amine (CID 92846477) is (8S)-N,N-dimethyl-5,6,7,8-tetrahydroisoquinolin-8-amine.
What is the SMILES notation for (8S)-N,N-dimethyl-5,6,7,8-tetrahydroisoquinolin-8-amine?
The canonical SMILES for (8S)-N,N-dimethyl-5,6,7,8-tetrahydroisoquinolin-8-amine is CN(C)[C@H]1CCCc2ccncc21.
What is the InChIKey of (8S)-N,N-dimethyl-5,6,7,8-tetrahydroisoquinolin-8-amine?
The InChIKey is NIYRJBGYQWFLAO-NSHDSACASA-N. The full InChI is InChI=1S/C11H16N2/c1-13(2)11-5-3-4-9-6-7-12-8-10(9)11/h6-8,11H,3-5H2,1-2H3/t11-/m0/s1.
What are the key properties of (8S)-N,N-dimethyl-5,6,7,8-tetrahydroisoquinolin-8-amine?
(8S)-N,N-dimethyl-5,6,7,8-tetrahydroisoquinolin-8-amine has a molecular weight of 176.26 g/mol, XLogP of 2.02, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-N,N-dimethyl-5,6,7,8-tetrahydroisoquinolin-8-amine is sourced from PubChem (CID 92846477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).