N-methyl-2-(1,3,5-trimethylindol-2-yl)ethanamine

C14H20N2 — CID 84622406

IUPACN-methyl-2-(1,3,5-trimethylindol-2-yl)ethanamine
SMILESCNCCc1c(C)c2cc(C)ccc2n1C
InChIInChI=1S/C14H20N2/c1-10-5-6-14-12(9-10)11(2)13(16(14)4)7-8-15-3/h5-6,9,15H,7-8H2,1-4H3
InChIKeyZFYMNEDUCGCITE-UHFFFAOYSA-N
MW216.33 g/mol
LogP2.56
Rot. Bonds3

About N-methyl-2-(1,3,5-trimethylindol-2-yl)ethanamine

N-methyl-2-(1,3,5-trimethylindol-2-yl)ethanamine (PubChem CID 84622406) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is N-methyl-2-(1,3,5-trimethylindol-2-yl)ethanamine.

Molecular Properties

Compound NameN-methyl-2-(1,3,5-trimethylindol-2-yl)ethanamine
PubChem CID84622406
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC NameN-methyl-2-(1,3,5-trimethylindol-2-yl)ethanamine
SMILESCNCCc1c(C)c2cc(C)ccc2n1C
InChIInChI=1S/C14H20N2/c1-10-5-6-14-12(9-10)11(2)13(16(14)4)7-8-15-3/h5-6,9,15H,7-8H2,1-4H3
InChIKeyZFYMNEDUCGCITE-UHFFFAOYSA-N
XLogP2.56
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(1,3,5-trimethylindol-2-yl)ethanamine?
The IUPAC name of N-methyl-2-(1,3,5-trimethylindol-2-yl)ethanamine (CID 84622406) is N-methyl-2-(1,3,5-trimethylindol-2-yl)ethanamine.
What is the SMILES notation for N-methyl-2-(1,3,5-trimethylindol-2-yl)ethanamine?
The canonical SMILES for N-methyl-2-(1,3,5-trimethylindol-2-yl)ethanamine is CNCCc1c(C)c2cc(C)ccc2n1C.
What is the InChIKey of N-methyl-2-(1,3,5-trimethylindol-2-yl)ethanamine?
The InChIKey is ZFYMNEDUCGCITE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2/c1-10-5-6-14-12(9-10)11(2)13(16(14)4)7-8-15-3/h5-6,9,15H,7-8H2,1-4H3.
What are the key properties of N-methyl-2-(1,3,5-trimethylindol-2-yl)ethanamine?
N-methyl-2-(1,3,5-trimethylindol-2-yl)ethanamine has a molecular weight of 216.33 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(1,3,5-trimethylindol-2-yl)ethanamine is sourced from PubChem (CID 84622406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).