1-(aminodiazenyl)-6-methyl-5,6,7,8-tetrahydroisoquinoline

C10H14N4 — CID 129060155

IUPAC1-(aminodiazenyl)-6-methyl-5,6,7,8-tetrahydroisoquinoline
SMILESCC1CCc2c(ccnc2/N=N/N)C1
InChIInChI=1S/C10H14N4/c1-7-2-3-9-8(6-7)4-5-12-10(9)13-14-11/h4-5,7H,2-3,6H2,1H3,(H2,11,12,13)
InChIKeyQKVHIRSAHKBJGY-UHFFFAOYSA-N
MW190.25 g/mol
LogP2.16
Rot. Bonds1

About 1-(aminodiazenyl)-6-methyl-5,6,7,8-tetrahydroisoquinoline

1-(aminodiazenyl)-6-methyl-5,6,7,8-tetrahydroisoquinoline (PubChem CID 129060155) has the molecular formula C10H14N4 and a molecular weight of 190.25 g/mol. Its IUPAC name is 1-(aminodiazenyl)-6-methyl-5,6,7,8-tetrahydroisoquinoline.

Molecular Properties

Compound Name1-(aminodiazenyl)-6-methyl-5,6,7,8-tetrahydroisoquinoline
PubChem CID129060155
Molecular FormulaC10H14N4
Molecular Weight190.25 g/mol
Exact Mass190.12
IUPAC Name1-(aminodiazenyl)-6-methyl-5,6,7,8-tetrahydroisoquinoline
SMILESCC1CCc2c(ccnc2/N=N/N)C1
InChIInChI=1S/C10H14N4/c1-7-2-3-9-8(6-7)4-5-12-10(9)13-14-11/h4-5,7H,2-3,6H2,1H3,(H2,11,12,13)
InChIKeyQKVHIRSAHKBJGY-UHFFFAOYSA-N
XLogP2.16
TPSA63.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-chloro-7-methyl-5,6,7,8-tetrahydroquinoline
CID 150264959
1,6-dimethyl-5,6,7,8-tetrahydronaphthalen-2-ol
CID 130033796
2,3-dimethylbutane;6-methyl-5,6,7,8-tetrahydroisoquinoline;sulfane
CID 142276554
4,7-dimethyl-5,6,7,8-tetrahydroquinazoline;methanamine
CID 163270671
5-ethenyl-2-methyl-1,2,3,4-tetrahydronaphthalene
CID 177206277
7-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridine
CID 142220956
(7S)-7-methyl-6,7,8,9-tetrahydrobenzo[g][1,3]benzodioxole
CID 143917287
ethane;(7S)-7-methyl-5,6,7,8-tetrahydroquinoline
CID 143143665
(7R)-7-methyl-5,6,7,8-tetrahydroisoquinolin-3-amine
CID 132548187
1-methyl-6-prop-2-enyl-5,6,7,8-tetrahydroisoquinoline
CID 131993394
ethyl 2-[(6-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]acetate
CID 67613778
7-methyl-6,7,8,9-tetrahydrobenzo[g]quinoline
CID 169264544

Frequently Asked Questions

What is the IUPAC name of 1-(aminodiazenyl)-6-methyl-5,6,7,8-tetrahydroisoquinoline?
The IUPAC name of 1-(aminodiazenyl)-6-methyl-5,6,7,8-tetrahydroisoquinoline (CID 129060155) is 1-(aminodiazenyl)-6-methyl-5,6,7,8-tetrahydroisoquinoline.
What is the SMILES notation for 1-(aminodiazenyl)-6-methyl-5,6,7,8-tetrahydroisoquinoline?
The canonical SMILES for 1-(aminodiazenyl)-6-methyl-5,6,7,8-tetrahydroisoquinoline is CC1CCc2c(ccnc2/N=N/N)C1.
What is the InChIKey of 1-(aminodiazenyl)-6-methyl-5,6,7,8-tetrahydroisoquinoline?
The InChIKey is QKVHIRSAHKBJGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4/c1-7-2-3-9-8(6-7)4-5-12-10(9)13-14-11/h4-5,7H,2-3,6H2,1H3,(H2,11,12,13).
What are the key properties of 1-(aminodiazenyl)-6-methyl-5,6,7,8-tetrahydroisoquinoline?
1-(aminodiazenyl)-6-methyl-5,6,7,8-tetrahydroisoquinoline has a molecular weight of 190.25 g/mol, XLogP of 2.16, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminodiazenyl)-6-methyl-5,6,7,8-tetrahydroisoquinoline is sourced from PubChem (CID 129060155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).