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

C15H22N2 — CID 82495215

IUPACN-ethyl-2-(1,2,5-trimethylindol-3-yl)ethanamine
SMILESCCNCCc1c(C)n(C)c2ccc(C)cc12
InChIInChI=1S/C15H22N2/c1-5-16-9-8-13-12(3)17(4)15-7-6-11(2)10-14(13)15/h6-7,10,16H,5,8-9H2,1-4H3
InChIKeyONKLJJFQJHKLIV-UHFFFAOYSA-N
MW230.35 g/mol
LogP2.95
Rot. Bonds4

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

N-ethyl-2-(1,2,5-trimethylindol-3-yl)ethanamine (PubChem CID 82495215) has the molecular formula C15H22N2 and a molecular weight of 230.35 g/mol. Its IUPAC name is N-ethyl-2-(1,2,5-trimethylindol-3-yl)ethanamine.

Molecular Properties

Compound NameN-ethyl-2-(1,2,5-trimethylindol-3-yl)ethanamine
PubChem CID82495215
Molecular FormulaC15H22N2
Molecular Weight230.35 g/mol
Exact Mass230.18
IUPAC NameN-ethyl-2-(1,2,5-trimethylindol-3-yl)ethanamine
SMILESCCNCCc1c(C)n(C)c2ccc(C)cc12
InChIInChI=1S/C15H22N2/c1-5-16-9-8-13-12(3)17(4)15-7-6-11(2)10-14(13)15/h6-7,10,16H,5,8-9H2,1-4H3
InChIKeyONKLJJFQJHKLIV-UHFFFAOYSA-N
XLogP2.95
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(1,2,5-trimethylindol-3-yl)ethanamine?
The IUPAC name of N-ethyl-2-(1,2,5-trimethylindol-3-yl)ethanamine (CID 82495215) is N-ethyl-2-(1,2,5-trimethylindol-3-yl)ethanamine.
What is the SMILES notation for N-ethyl-2-(1,2,5-trimethylindol-3-yl)ethanamine?
The canonical SMILES for N-ethyl-2-(1,2,5-trimethylindol-3-yl)ethanamine is CCNCCc1c(C)n(C)c2ccc(C)cc12.
What is the InChIKey of N-ethyl-2-(1,2,5-trimethylindol-3-yl)ethanamine?
The InChIKey is ONKLJJFQJHKLIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2/c1-5-16-9-8-13-12(3)17(4)15-7-6-11(2)10-14(13)15/h6-7,10,16H,5,8-9H2,1-4H3.
What are the key properties of N-ethyl-2-(1,2,5-trimethylindol-3-yl)ethanamine?
N-ethyl-2-(1,2,5-trimethylindol-3-yl)ethanamine has a molecular weight of 230.35 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(1,2,5-trimethylindol-3-yl)ethanamine is sourced from PubChem (CID 82495215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).