1-methyl-1,2,3,4-tetrahydroisoquinoline-5,6-diamine

C10H15N3 — CID 84656202

IUPAC1-methyl-1,2,3,4-tetrahydroisoquinoline-5,6-diamine
SMILESCC1NCCc2c1ccc(N)c2N
InChIInChI=1S/C10H15N3/c1-6-7-2-3-9(11)10(12)8(7)4-5-13-6/h2-3,6,13H,4-5,11-12H2,1H3
InChIKeyHTFGYGHDTSXTQV-UHFFFAOYSA-N
MW177.25 g/mol
LogP1.06
Rot. Bonds

About 1-methyl-1,2,3,4-tetrahydroisoquinoline-5,6-diamine

1-methyl-1,2,3,4-tetrahydroisoquinoline-5,6-diamine (PubChem CID 84656202) has the molecular formula C10H15N3 and a molecular weight of 177.25 g/mol. Its IUPAC name is 1-methyl-1,2,3,4-tetrahydroisoquinoline-5,6-diamine.

Molecular Properties

Compound Name1-methyl-1,2,3,4-tetrahydroisoquinoline-5,6-diamine
PubChem CID84656202
Molecular FormulaC10H15N3
Molecular Weight177.25 g/mol
Exact Mass177.13
IUPAC Name1-methyl-1,2,3,4-tetrahydroisoquinoline-5,6-diamine
SMILESCC1NCCc2c1ccc(N)c2N
InChIInChI=1S/C10H15N3/c1-6-7-2-3-9(11)10(12)8(7)4-5-13-6/h2-3,6,13H,4-5,11-12H2,1H3
InChIKeyHTFGYGHDTSXTQV-UHFFFAOYSA-N
XLogP1.06
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-bromo-1-methyl-1,2,3,4-tetrahydroisoquinolin-5-amine
CID 84702414
5-methoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-8-amine
CID 84664219
6-fluoro-5-methoxy-1-methyl-1,2,3,4-tetrahydroisoquinoline
CID 83377554
(1S)-5-ethyl-1-methyl-1,2,3,4-tetrahydroisoquinoline
CID 94423264
6-chloro-5-fluoro-1-methyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride
CID 167716546
(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
(1R)-1-methyl-5-nitro-1,2,3,4-tetrahydroisoquinoline
CID 130704024
1,6-dimethyl-1,2,3,4-tetrahydroisoquinolin-7-amine
CID 84655716
5-(1-fluoropropan-2-yl)-1-methyl-1,2,3,4-tetrahydroisoquinoline;hydroxylamine
CID 145383424
N-(1-methyl-1,2,3,4-tetrahydroisoquinolin-5-yl)acetamide
CID 66875746
7-chloro-1-methyl-1,2,3,4-tetrahydroisoquinolin-6-amine
CID 84667322

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1,2,3,4-tetrahydroisoquinoline-5,6-diamine?
The IUPAC name of 1-methyl-1,2,3,4-tetrahydroisoquinoline-5,6-diamine (CID 84656202) is 1-methyl-1,2,3,4-tetrahydroisoquinoline-5,6-diamine.
What is the SMILES notation for 1-methyl-1,2,3,4-tetrahydroisoquinoline-5,6-diamine?
The canonical SMILES for 1-methyl-1,2,3,4-tetrahydroisoquinoline-5,6-diamine is CC1NCCc2c1ccc(N)c2N.
What is the InChIKey of 1-methyl-1,2,3,4-tetrahydroisoquinoline-5,6-diamine?
The InChIKey is HTFGYGHDTSXTQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3/c1-6-7-2-3-9(11)10(12)8(7)4-5-13-6/h2-3,6,13H,4-5,11-12H2,1H3.
What are the key properties of 1-methyl-1,2,3,4-tetrahydroisoquinoline-5,6-diamine?
1-methyl-1,2,3,4-tetrahydroisoquinoline-5,6-diamine has a molecular weight of 177.25 g/mol, XLogP of 1.06, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1,2,3,4-tetrahydroisoquinoline-5,6-diamine is sourced from PubChem (CID 84656202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).