N-methyl-2-(2-propyl-1H-indol-3-yl)ethanamine

C14H20N2 — CID 56594253

IUPACN-methyl-2-(2-propyl-1H-indol-3-yl)ethanamine
SMILESCCCc1[nH]c2ccccc2c1CCNC
InChIInChI=1S/C14H20N2/c1-3-6-13-12(9-10-15-2)11-7-4-5-8-14(11)16-13/h4-5,7-8,15-16H,3,6,9-10H2,1-2H3
InChIKeyLJVAWGXCWSYMSW-UHFFFAOYSA-N
MW216.33 g/mol
LogP2.88
Rot. Bonds5

About N-methyl-2-(2-propyl-1H-indol-3-yl)ethanamine

N-methyl-2-(2-propyl-1H-indol-3-yl)ethanamine (PubChem CID 56594253) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is N-methyl-2-(2-propyl-1H-indol-3-yl)ethanamine.

Molecular Properties

Compound NameN-methyl-2-(2-propyl-1H-indol-3-yl)ethanamine
PubChem CID56594253
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC NameN-methyl-2-(2-propyl-1H-indol-3-yl)ethanamine
SMILESCCCc1[nH]c2ccccc2c1CCNC
InChIInChI=1S/C14H20N2/c1-3-6-13-12(9-10-15-2)11-7-4-5-8-14(11)16-13/h4-5,7-8,15-16H,3,6,9-10H2,1-2H3
InChIKeyLJVAWGXCWSYMSW-UHFFFAOYSA-N
XLogP2.88
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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-(2-propyl-1H-indol-3-yl)ethanamine?
The IUPAC name of N-methyl-2-(2-propyl-1H-indol-3-yl)ethanamine (CID 56594253) is N-methyl-2-(2-propyl-1H-indol-3-yl)ethanamine.
What is the SMILES notation for N-methyl-2-(2-propyl-1H-indol-3-yl)ethanamine?
The canonical SMILES for N-methyl-2-(2-propyl-1H-indol-3-yl)ethanamine is CCCc1[nH]c2ccccc2c1CCNC.
What is the InChIKey of N-methyl-2-(2-propyl-1H-indol-3-yl)ethanamine?
The InChIKey is LJVAWGXCWSYMSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2/c1-3-6-13-12(9-10-15-2)11-7-4-5-8-14(11)16-13/h4-5,7-8,15-16H,3,6,9-10H2,1-2H3.
What are the key properties of N-methyl-2-(2-propyl-1H-indol-3-yl)ethanamine?
N-methyl-2-(2-propyl-1H-indol-3-yl)ethanamine has a molecular weight of 216.33 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(2-propyl-1H-indol-3-yl)ethanamine is sourced from PubChem (CID 56594253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).