(7R)-7-methyl-5,6,7,8-tetrahydroisoquinolin-3-amine

C10H14N2 — CID 132548187

IUPAC(7R)-7-methyl-5,6,7,8-tetrahydroisoquinolin-3-amine
SMILESC[C@@H]1CCc2cc(N)ncc2C1
InChIInChI=1S/C10H14N2/c1-7-2-3-8-5-10(11)12-6-9(8)4-7/h5-7H,2-4H2,1H3,(H2,11,12)/t7-/m1/s1
InChIKeyKTKITMBZKOQHGH-SSDOTTSWSA-N
MW162.24 g/mol
LogP1.79
Rot. Bonds

About (7R)-7-methyl-5,6,7,8-tetrahydroisoquinolin-3-amine

(7R)-7-methyl-5,6,7,8-tetrahydroisoquinolin-3-amine (PubChem CID 132548187) has the molecular formula C10H14N2 and a molecular weight of 162.24 g/mol. Its IUPAC name is (7R)-7-methyl-5,6,7,8-tetrahydroisoquinolin-3-amine.

Molecular Properties

Compound Name(7R)-7-methyl-5,6,7,8-tetrahydroisoquinolin-3-amine
PubChem CID132548187
Molecular FormulaC10H14N2
Molecular Weight162.24 g/mol
Exact Mass162.12
IUPAC Name(7R)-7-methyl-5,6,7,8-tetrahydroisoquinolin-3-amine
SMILESC[C@@H]1CCc2cc(N)ncc2C1
InChIInChI=1S/C10H14N2/c1-7-2-3-8-5-10(11)12-6-9(8)4-7/h5-7H,2-4H2,1H3,(H2,11,12)/t7-/m1/s1
InChIKeyKTKITMBZKOQHGH-SSDOTTSWSA-N
XLogP1.79
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.24
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (7R)-7-methyl-5,6,7,8-tetrahydroisoquinolin-3-amine?
The IUPAC name of (7R)-7-methyl-5,6,7,8-tetrahydroisoquinolin-3-amine (CID 132548187) is (7R)-7-methyl-5,6,7,8-tetrahydroisoquinolin-3-amine.
What is the SMILES notation for (7R)-7-methyl-5,6,7,8-tetrahydroisoquinolin-3-amine?
The canonical SMILES for (7R)-7-methyl-5,6,7,8-tetrahydroisoquinolin-3-amine is C[C@@H]1CCc2cc(N)ncc2C1.
What is the InChIKey of (7R)-7-methyl-5,6,7,8-tetrahydroisoquinolin-3-amine?
The InChIKey is KTKITMBZKOQHGH-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H14N2/c1-7-2-3-8-5-10(11)12-6-9(8)4-7/h5-7H,2-4H2,1H3,(H2,11,12)/t7-/m1/s1.
What are the key properties of (7R)-7-methyl-5,6,7,8-tetrahydroisoquinolin-3-amine?
(7R)-7-methyl-5,6,7,8-tetrahydroisoquinolin-3-amine has a molecular weight of 162.24 g/mol, XLogP of 1.79, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-7-methyl-5,6,7,8-tetrahydroisoquinolin-3-amine is sourced from PubChem (CID 132548187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).