6-methyl-1,2,3,4-tetrahydroquinoline;molecular iodine

C10H13I2N — CID 159662716

IUPAC6-methyl-1,2,3,4-tetrahydroquinoline;molecular iodine
SMILESCc1ccc2c(c1)CCCN2.II
InChIInChI=1S/C10H13N.I2/c1-8-4-5-10-9(7-8)3-2-6-11-10;1-2/h4-5,7,11H,2-3,6H2,1H3;
InChIKeyMTABZHLEZRCKLA-UHFFFAOYSA-N
MW401.03 g/mol
LogP4.12
Rot. Bonds

About 6-methyl-1,2,3,4-tetrahydroquinoline;molecular iodine

6-methyl-1,2,3,4-tetrahydroquinoline;molecular iodine (PubChem CID 159662716) has the molecular formula C10H13I2N and a molecular weight of 401.03 g/mol. Its IUPAC name is 6-methyl-1,2,3,4-tetrahydroquinoline;molecular iodine.

Molecular Properties

Compound Name6-methyl-1,2,3,4-tetrahydroquinoline;molecular iodine
PubChem CID159662716
Molecular FormulaC10H13I2N
Molecular Weight401.03 g/mol
Exact Mass400.91
IUPAC Name6-methyl-1,2,3,4-tetrahydroquinoline;molecular iodine
SMILESCc1ccc2c(c1)CCCN2.II
InChIInChI=1S/C10H13N.I2/c1-8-4-5-10-9(7-8)3-2-6-11-10;1-2/h4-5,7,11H,2-3,6H2,1H3;
InChIKeyMTABZHLEZRCKLA-UHFFFAOYSA-N
XLogP4.12
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.03
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

ethane;6-methyl-1,2,3,4-tetrahydroquinoline
CID 144598135
6-[2-(4-methylphenyl)ethyl]-1,2,3,4-tetrahydroquinoline
CID 63968254
ethane;7-methyl-1,2,3,4-tetrahydroquinoline
CID 142224426
6-(2,4-dimethylphenyl)-1,2,3,4-tetrahydroquinoline
CID 62502822
6-methyl-1-(1,2,3,4-tetrahydroquinolin-6-yl)-3,4-dihydro-2H-quinoline
CID 81217990
6-(2-fluoro-5-methylphenyl)-1,2,3,4-tetrahydroquinoline
CID 62500792
methylphosphane;1,2,3,4-tetrahydroquinolin-6-ol
CID 143733267
6-(2,3,4,5,6-pentamethylphenyl)-1,2,3,4-tetrahydroquinoline
CID 63424137
6-methyl-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one;6-methyl-1,2,3,4-tetrahydroquinoline
CID 159102364
6-[(2-methoxy-5-methylphenyl)methyl]-1,2,3,4-tetrahydroquinoline
CID 63970758
6-methyl-2-(1,2,3,4-tetrahydroquinolin-6-yl)-1,3-benzoxazole
CID 43436668
8-methyl-2,3,4,5-tetrahydro-1H-1-benzazepine;molecular hydrogen
CID 143099737

Frequently Asked Questions

What is the IUPAC name of 6-methyl-1,2,3,4-tetrahydroquinoline;molecular iodine?
The IUPAC name of 6-methyl-1,2,3,4-tetrahydroquinoline;molecular iodine (CID 159662716) is 6-methyl-1,2,3,4-tetrahydroquinoline;molecular iodine.
What is the SMILES notation for 6-methyl-1,2,3,4-tetrahydroquinoline;molecular iodine?
The canonical SMILES for 6-methyl-1,2,3,4-tetrahydroquinoline;molecular iodine is Cc1ccc2c(c1)CCCN2.II.
What is the InChIKey of 6-methyl-1,2,3,4-tetrahydroquinoline;molecular iodine?
The InChIKey is MTABZHLEZRCKLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N.I2/c1-8-4-5-10-9(7-8)3-2-6-11-10;1-2/h4-5,7,11H,2-3,6H2,1H3;.
What are the key properties of 6-methyl-1,2,3,4-tetrahydroquinoline;molecular iodine?
6-methyl-1,2,3,4-tetrahydroquinoline;molecular iodine has a molecular weight of 401.03 g/mol, XLogP of 4.12, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1,2,3,4-tetrahydroquinoline;molecular iodine is sourced from PubChem (CID 159662716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).