1,6-dimethyl-1,2,3,4-tetrahydroisoquinolin-7-amine

C11H16N2 — CID 84655716

IUPAC1,6-dimethyl-1,2,3,4-tetrahydroisoquinolin-7-amine
SMILESCc1cc2c(cc1N)C(C)NCC2
InChIInChI=1S/C11H16N2/c1-7-5-9-3-4-13-8(2)10(9)6-11(7)12/h5-6,8,13H,3-4,12H2,1-2H3
InChIKeyXCUKBZNBCPBIHF-UHFFFAOYSA-N
MW176.26 g/mol
LogP1.78
Rot. Bonds

About 1,6-dimethyl-1,2,3,4-tetrahydroisoquinolin-7-amine

1,6-dimethyl-1,2,3,4-tetrahydroisoquinolin-7-amine (PubChem CID 84655716) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is 1,6-dimethyl-1,2,3,4-tetrahydroisoquinolin-7-amine.

Molecular Properties

Compound Name1,6-dimethyl-1,2,3,4-tetrahydroisoquinolin-7-amine
PubChem CID84655716
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name1,6-dimethyl-1,2,3,4-tetrahydroisoquinolin-7-amine
SMILESCc1cc2c(cc1N)C(C)NCC2
InChIInChI=1S/C11H16N2/c1-7-5-9-3-4-13-8(2)10(9)6-11(7)12/h5-6,8,13H,3-4,12H2,1-2H3
InChIKeyXCUKBZNBCPBIHF-UHFFFAOYSA-N
XLogP1.78
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

7-chloro-1-methyl-1,2,3,4-tetrahydroisoquinolin-6-amine
CID 84667322
(1R)-6-bromo-1-methyl-1,2,3,4-tetrahydroisoquinoline
CID 96980969
8-methyl-2,3,5,6,7,8-hexahydrofuro[3,2-g]isoquinoline
CID 83376428
(1S)-6,7-diethoxy-1-methyl-1,2,3,4-tetrahydroisoquinoline
CID 7157327
(1R)-7-chloro-1-methyl-1,2,3,4-tetrahydroisoquinoline
CID 94365199
(1S)-1-methyl-1,2,3,4-tetrahydroisoquinoline-6-carboxylic acid
CID 130607773
1-methyl-1,2,3,4-tetrahydroisoquinoline-6-carboxylic acid
CID 83963307
1-methyl-1,2,3,4-tetrahydroisoquinoline-5,6-diamine
CID 84656202
8-bromo-1-methyl-1,2,3,4-tetrahydroisoquinolin-7-amine
CID 84702415
(1R)-1-methyl-6-methylsulfanyl-1,2,3,4-tetrahydroisoquinoline
CID 130741278
2,7-dimethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine
CID 53213679
(1S)-6-(difluoromethyl)-1-methyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride
CID 178029828

Frequently Asked Questions

What is the IUPAC name of 1,6-dimethyl-1,2,3,4-tetrahydroisoquinolin-7-amine?
The IUPAC name of 1,6-dimethyl-1,2,3,4-tetrahydroisoquinolin-7-amine (CID 84655716) is 1,6-dimethyl-1,2,3,4-tetrahydroisoquinolin-7-amine.
What is the SMILES notation for 1,6-dimethyl-1,2,3,4-tetrahydroisoquinolin-7-amine?
The canonical SMILES for 1,6-dimethyl-1,2,3,4-tetrahydroisoquinolin-7-amine is Cc1cc2c(cc1N)C(C)NCC2.
What is the InChIKey of 1,6-dimethyl-1,2,3,4-tetrahydroisoquinolin-7-amine?
The InChIKey is XCUKBZNBCPBIHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2/c1-7-5-9-3-4-13-8(2)10(9)6-11(7)12/h5-6,8,13H,3-4,12H2,1-2H3.
What are the key properties of 1,6-dimethyl-1,2,3,4-tetrahydroisoquinolin-7-amine?
1,6-dimethyl-1,2,3,4-tetrahydroisoquinolin-7-amine has a molecular weight of 176.26 g/mol, XLogP of 1.78, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dimethyl-1,2,3,4-tetrahydroisoquinolin-7-amine is sourced from PubChem (CID 84655716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).