1-methyl-5,6,7,8-tetrahydroisoquinolin-5-amine

C10H14N2 — CID 175312266

IUPAC1-methyl-5,6,7,8-tetrahydroisoquinolin-5-amine
SMILESCc1nccc2c1CCCC2N
InChIInChI=1S/C10H14N2/c1-7-8-3-2-4-10(11)9(8)5-6-12-7/h5-6,10H,2-4,11H2,1H3
InChIKeyRVQDUKJDMYNYSS-UHFFFAOYSA-N
MW162.24 g/mol
LogP1.73
Rot. Bonds

About 1-methyl-5,6,7,8-tetrahydroisoquinolin-5-amine

1-methyl-5,6,7,8-tetrahydroisoquinolin-5-amine (PubChem CID 175312266) has the molecular formula C10H14N2 and a molecular weight of 162.24 g/mol. Its IUPAC name is 1-methyl-5,6,7,8-tetrahydroisoquinolin-5-amine.

Molecular Properties

Compound Name1-methyl-5,6,7,8-tetrahydroisoquinolin-5-amine
PubChem CID175312266
Molecular FormulaC10H14N2
Molecular Weight162.24 g/mol
Exact Mass162.12
IUPAC Name1-methyl-5,6,7,8-tetrahydroisoquinolin-5-amine
SMILESCc1nccc2c1CCCC2N
InChIInChI=1S/C10H14N2/c1-7-8-3-2-4-10(11)9(8)5-6-12-7/h5-6,10H,2-4,11H2,1H3
InChIKeyRVQDUKJDMYNYSS-UHFFFAOYSA-N
XLogP1.73
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 ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5,6,7,8-tetrahydroisoquinolin-5-amine?
The IUPAC name of 1-methyl-5,6,7,8-tetrahydroisoquinolin-5-amine (CID 175312266) is 1-methyl-5,6,7,8-tetrahydroisoquinolin-5-amine.
What is the SMILES notation for 1-methyl-5,6,7,8-tetrahydroisoquinolin-5-amine?
The canonical SMILES for 1-methyl-5,6,7,8-tetrahydroisoquinolin-5-amine is Cc1nccc2c1CCCC2N.
What is the InChIKey of 1-methyl-5,6,7,8-tetrahydroisoquinolin-5-amine?
The InChIKey is RVQDUKJDMYNYSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2/c1-7-8-3-2-4-10(11)9(8)5-6-12-7/h5-6,10H,2-4,11H2,1H3.
What are the key properties of 1-methyl-5,6,7,8-tetrahydroisoquinolin-5-amine?
1-methyl-5,6,7,8-tetrahydroisoquinolin-5-amine has a molecular weight of 162.24 g/mol, XLogP of 1.73, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5,6,7,8-tetrahydroisoquinolin-5-amine is sourced from PubChem (CID 175312266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).