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

C15H22N2 — CID 59939722

IUPACN,N-dimethyl-2-(1,2,5-trimethylindol-3-yl)ethanamine
SMILESCc1ccc2c(c1)c(CCN(C)C)c(C)n2C
InChIInChI=1S/C15H22N2/c1-11-6-7-15-14(10-11)13(8-9-16(3)4)12(2)17(15)5/h6-7,10H,8-9H2,1-5H3
InChIKeyYSQVNOXHDDYVNM-UHFFFAOYSA-N
MW230.35 g/mol
LogP2.90
Rot. Bonds3

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

N,N-dimethyl-2-(1,2,5-trimethylindol-3-yl)ethanamine (PubChem CID 59939722) has the molecular formula C15H22N2 and a molecular weight of 230.35 g/mol. Its IUPAC name is N,N-dimethyl-2-(1,2,5-trimethylindol-3-yl)ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-(1,2,5-trimethylindol-3-yl)ethanamine
PubChem CID59939722
Molecular FormulaC15H22N2
Molecular Weight230.35 g/mol
Exact Mass230.18
IUPAC NameN,N-dimethyl-2-(1,2,5-trimethylindol-3-yl)ethanamine
SMILESCc1ccc2c(c1)c(CCN(C)C)c(C)n2C
InChIInChI=1S/C15H22N2/c1-11-6-7-15-14(10-11)13(8-9-16(3)4)12(2)17(15)5/h6-7,10H,8-9H2,1-5H3
InChIKeyYSQVNOXHDDYVNM-UHFFFAOYSA-N
XLogP2.90
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 52.90
H-Bond Donors ≤ 50
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,N-dimethyl-2-(1,2,5-trimethylindol-3-yl)ethanamine?
The IUPAC name of N,N-dimethyl-2-(1,2,5-trimethylindol-3-yl)ethanamine (CID 59939722) is N,N-dimethyl-2-(1,2,5-trimethylindol-3-yl)ethanamine.
What is the SMILES notation for N,N-dimethyl-2-(1,2,5-trimethylindol-3-yl)ethanamine?
The canonical SMILES for N,N-dimethyl-2-(1,2,5-trimethylindol-3-yl)ethanamine is Cc1ccc2c(c1)c(CCN(C)C)c(C)n2C.
What is the InChIKey of N,N-dimethyl-2-(1,2,5-trimethylindol-3-yl)ethanamine?
The InChIKey is YSQVNOXHDDYVNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2/c1-11-6-7-15-14(10-11)13(8-9-16(3)4)12(2)17(15)5/h6-7,10H,8-9H2,1-5H3.
What are the key properties of N,N-dimethyl-2-(1,2,5-trimethylindol-3-yl)ethanamine?
N,N-dimethyl-2-(1,2,5-trimethylindol-3-yl)ethanamine has a molecular weight of 230.35 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(1,2,5-trimethylindol-3-yl)ethanamine is sourced from PubChem (CID 59939722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).