1-(1,2,4,5,6,7-hexamethylindol-3-yl)-N-iodomethanamine

C15H21IN2 — CID 131730211

IUPAC1-(1,2,4,5,6,7-hexamethylindol-3-yl)-N-iodomethanamine
SMILESCc1c(C)c(C)c2c(c1C)c(CNI)c(C)n2C
InChIInChI=1S/C15H21IN2/c1-8-9(2)11(4)15-14(10(8)3)13(7-17-16)12(5)18(15)6/h17H,7H2,1-6H3
InChIKeyJJGZLBMKQXISRV-UHFFFAOYSA-N
MW356.25 g/mol
LogP4.16
Rot. Bonds2

About 1-(1,2,4,5,6,7-hexamethylindol-3-yl)-N-iodomethanamine

1-(1,2,4,5,6,7-hexamethylindol-3-yl)-N-iodomethanamine (PubChem CID 131730211) has the molecular formula C15H21IN2 and a molecular weight of 356.25 g/mol. Its IUPAC name is 1-(1,2,4,5,6,7-hexamethylindol-3-yl)-N-iodomethanamine.

Molecular Properties

Compound Name1-(1,2,4,5,6,7-hexamethylindol-3-yl)-N-iodomethanamine
PubChem CID131730211
Molecular FormulaC15H21IN2
Molecular Weight356.25 g/mol
Exact Mass356.07
IUPAC Name1-(1,2,4,5,6,7-hexamethylindol-3-yl)-N-iodomethanamine
SMILESCc1c(C)c(C)c2c(c1C)c(CNI)c(C)n2C
InChIInChI=1S/C15H21IN2/c1-8-9(2)11(4)15-14(10(8)3)13(7-17-16)12(5)18(15)6/h17H,7H2,1-6H3
InChIKeyJJGZLBMKQXISRV-UHFFFAOYSA-N
XLogP4.16
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.25
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(1,2,4,5,6,7-hexamethylindol-3-yl)propanoic acid
CID 21339087
1,2,4,5,6,7-hexamethyl-3-(2-propan-2-yloxyprop-2-enyl)indole
CID 20653325
methane;1,2,3,4,5,6,7,8,9-nonamethylcarbazole
CID 158365814
1,2,3,4,5,6,8,9-octamethyl-7-[(1,2,4,5,6,7,8,9-octamethylcarbazol-3-yl)methyl]carbazole
CID 129087204
1,2,3,4,6,7-hexamethyl-5-(2,3,4,5,6-pentamethylphenyl)indole
CID 59246608
1,2,3,5,6,7-hexamethyl-4-(2,3,4,5,6-pentamethylphenyl)indole
CID 59246621
1,2,3,4,5,6,7-heptamethylindole;methane;1,2,3,4,5-pentamethylcyclopenta-1,3-diene
CID 157093182
N,N-dimethyl-1-(1,2,4,5,6,7,8,9-octamethylcarbazol-3-yl)methanamine
CID 170288713
4-(1,2,4,5,6,7-hexamethylindol-3-yl)-4-hydroxybut-3-en-2-one
CID 72612053
3-(2,2-dimethylpropyl)-1,2,4,6,7-pentamethylindole
CID 159704353
1,3,4,5,6,7-hexamethylindole-2-carboxylic acid
CID 18735240
1,2,3,4,5,7,8,9-octamethyl-6-(3-methylbut-2-en-2-yl)carbazole
CID 23527720

Frequently Asked Questions

What is the IUPAC name of 1-(1,2,4,5,6,7-hexamethylindol-3-yl)-N-iodomethanamine?
The IUPAC name of 1-(1,2,4,5,6,7-hexamethylindol-3-yl)-N-iodomethanamine (CID 131730211) is 1-(1,2,4,5,6,7-hexamethylindol-3-yl)-N-iodomethanamine.
What is the SMILES notation for 1-(1,2,4,5,6,7-hexamethylindol-3-yl)-N-iodomethanamine?
The canonical SMILES for 1-(1,2,4,5,6,7-hexamethylindol-3-yl)-N-iodomethanamine is Cc1c(C)c(C)c2c(c1C)c(CNI)c(C)n2C.
What is the InChIKey of 1-(1,2,4,5,6,7-hexamethylindol-3-yl)-N-iodomethanamine?
The InChIKey is JJGZLBMKQXISRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21IN2/c1-8-9(2)11(4)15-14(10(8)3)13(7-17-16)12(5)18(15)6/h17H,7H2,1-6H3.
What are the key properties of 1-(1,2,4,5,6,7-hexamethylindol-3-yl)-N-iodomethanamine?
1-(1,2,4,5,6,7-hexamethylindol-3-yl)-N-iodomethanamine has a molecular weight of 356.25 g/mol, XLogP of 4.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2,4,5,6,7-hexamethylindol-3-yl)-N-iodomethanamine is sourced from PubChem (CID 131730211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).