3-(1,5-dimethylindol-3-yl)-N-propan-2-ylpropan-1-amine

C16H24N2 — CID 96674926

IUPAC3-(1,5-dimethylindol-3-yl)-N-propan-2-ylpropan-1-amine
SMILESCc1ccc2c(c1)c(CCCNC(C)C)cn2C
InChIInChI=1S/C16H24N2/c1-12(2)17-9-5-6-14-11-18(4)16-8-7-13(3)10-15(14)16/h7-8,10-12,17H,5-6,9H2,1-4H3
InChIKeyGBXYTZUUHSQUCP-UHFFFAOYSA-N
MW244.38 g/mol
LogP3.42
Rot. Bonds5

About 3-(1,5-dimethylindol-3-yl)-N-propan-2-ylpropan-1-amine

3-(1,5-dimethylindol-3-yl)-N-propan-2-ylpropan-1-amine (PubChem CID 96674926) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 3-(1,5-dimethylindol-3-yl)-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name3-(1,5-dimethylindol-3-yl)-N-propan-2-ylpropan-1-amine
PubChem CID96674926
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name3-(1,5-dimethylindol-3-yl)-N-propan-2-ylpropan-1-amine
SMILESCc1ccc2c(c1)c(CCCNC(C)C)cn2C
InChIInChI=1S/C16H24N2/c1-12(2)17-9-5-6-14-11-18(4)16-8-7-13(3)10-15(14)16/h7-8,10-12,17H,5-6,9H2,1-4H3
InChIKeyGBXYTZUUHSQUCP-UHFFFAOYSA-N
XLogP3.42
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-(1,5-dimethylindol-3-yl)-N-propan-2-ylpropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1,5-dimethylindol-3-yl)ethanamine;hydrochloride
CID 18933143
N-methyl-3-(1-methyl-5-propan-2-ylindol-3-yl)propan-1-amine
CID 96674945
3-(2-isocyanoethyl)-1,5-dimethylindole
CID 83485144
3-(5-ethoxy-1-methylindol-3-yl)-N-methylpropan-1-amine
CID 98784252
N-methyl-3-(1-methyl-5-methylsulfonylindol-3-yl)propan-1-amine
CID 83985061
[4-[2-(1,5-dimethylindol-3-yl)ethylamino]-6-methylpyrimidin-2-yl]methanol
CID 166293633
1,5-dimethyl-3-(piperidin-3-ylmethyl)indole
CID 84630406
N-ethyl-2-(1-methyl-5-propan-2-ylindol-3-yl)ethanamine
CID 96674946
3-(5-ethyl-1-methylindol-3-yl)propan-1-ol
CID 82278629
3-(1,5-dimethylindol-3-yl)sulfanyl-1,5-dimethylindole
CID 138983603
ethane;3-fluoro-1,5-dimethylindole;propane
CID 176703204
2-methyl-N-[2-(1-methyl-5-propan-2-ylindol-3-yl)ethyl]propan-2-amine
CID 96679765

Frequently Asked Questions

What is the IUPAC name of 3-(1,5-dimethylindol-3-yl)-N-propan-2-ylpropan-1-amine?
The IUPAC name of 3-(1,5-dimethylindol-3-yl)-N-propan-2-ylpropan-1-amine (CID 96674926) is 3-(1,5-dimethylindol-3-yl)-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 3-(1,5-dimethylindol-3-yl)-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 3-(1,5-dimethylindol-3-yl)-N-propan-2-ylpropan-1-amine is Cc1ccc2c(c1)c(CCCNC(C)C)cn2C.
What is the InChIKey of 3-(1,5-dimethylindol-3-yl)-N-propan-2-ylpropan-1-amine?
The InChIKey is GBXYTZUUHSQUCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-12(2)17-9-5-6-14-11-18(4)16-8-7-13(3)10-15(14)16/h7-8,10-12,17H,5-6,9H2,1-4H3.
What are the key properties of 3-(1,5-dimethylindol-3-yl)-N-propan-2-ylpropan-1-amine?
3-(1,5-dimethylindol-3-yl)-N-propan-2-ylpropan-1-amine has a molecular weight of 244.38 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,5-dimethylindol-3-yl)-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 96674926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).