2-(1,2-dimethylindol-3-yl)-2-(1-ethylpiperidin-2-yl)ethanamine

C19H29N3 — CID 83987607

IUPAC2-(1,2-dimethylindol-3-yl)-2-(1-ethylpiperidin-2-yl)ethanamine
SMILESCCN1CCCCC1C(CN)c1c(C)n(C)c2ccccc12
InChIInChI=1S/C19H29N3/c1-4-22-12-8-7-11-18(22)16(13-20)19-14(2)21(3)17-10-6-5-9-15(17)19/h5-6,9-10,16,18H,4,7-8,11-13,20H2,1-3H3
InChIKeyQLVIEUPOFVUPAS-UHFFFAOYSA-N
MW299.46 g/mol
LogP3.40
Rot. Bonds4

About 2-(1,2-dimethylindol-3-yl)-2-(1-ethylpiperidin-2-yl)ethanamine

2-(1,2-dimethylindol-3-yl)-2-(1-ethylpiperidin-2-yl)ethanamine (PubChem CID 83987607) has the molecular formula C19H29N3 and a molecular weight of 299.46 g/mol. Its IUPAC name is 2-(1,2-dimethylindol-3-yl)-2-(1-ethylpiperidin-2-yl)ethanamine.

Molecular Properties

Compound Name2-(1,2-dimethylindol-3-yl)-2-(1-ethylpiperidin-2-yl)ethanamine
PubChem CID83987607
Molecular FormulaC19H29N3
Molecular Weight299.46 g/mol
Exact Mass299.24
IUPAC Name2-(1,2-dimethylindol-3-yl)-2-(1-ethylpiperidin-2-yl)ethanamine
SMILESCCN1CCCCC1C(CN)c1c(C)n(C)c2ccccc12
InChIInChI=1S/C19H29N3/c1-4-22-12-8-7-11-18(22)16(13-20)19-14(2)21(3)17-10-6-5-9-15(17)19/h5-6,9-10,16,18H,4,7-8,11-13,20H2,1-3H3
InChIKeyQLVIEUPOFVUPAS-UHFFFAOYSA-N
XLogP3.40
TPSA34.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.46
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(1,2-dimethylindol-3-yl)-2-(1-ethylpiperidin-2-yl)ethanamine 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-[4-[2-amino-1-(1,2-dimethylindol-3-yl)ethyl]piperidin-1-yl]ethanol
CID 83976723
2-(1,2-dimethylindol-3-yl)-2-(3-methylcyclohexyl)ethanamine
CID 83976727
2-(1-ethylpiperidin-2-yl)-2-(4-propan-2-ylphenyl)ethanamine
CID 83986506
4-[2-amino-1-(1-ethylpiperidin-2-yl)ethyl]phenol
CID 83987243
(1R)-2-amino-1-(1,2-dimethylindol-3-yl)ethanol
CID 95438701
cyclobutyl-(1,2-dimethylindol-3-yl)methanamine
CID 82288284
3-cyclobutyl-3-(1,2-dimethylindol-3-yl)propanoic acid
CID 82277340
2-(1,2-dimethylindol-3-yl)-2-methoxyethanamine
CID 82285579
2-(1,3-benzodioxol-5-yl)-2-(1-ethylpiperidin-2-yl)ethanamine
CID 83986798
2,3-bis(1,2-dimethylindol-3-yl)propan-1-amine
CID 112539162
2-(1,2-dimethylindol-3-yl)-2-pyrrolidin-1-ylacetic acid
CID 82488583
2-cyclopentyl-2-(1-methylindol-3-yl)ethanamine
CID 10633946

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-dimethylindol-3-yl)-2-(1-ethylpiperidin-2-yl)ethanamine?
The IUPAC name of 2-(1,2-dimethylindol-3-yl)-2-(1-ethylpiperidin-2-yl)ethanamine (CID 83987607) is 2-(1,2-dimethylindol-3-yl)-2-(1-ethylpiperidin-2-yl)ethanamine.
What is the SMILES notation for 2-(1,2-dimethylindol-3-yl)-2-(1-ethylpiperidin-2-yl)ethanamine?
The canonical SMILES for 2-(1,2-dimethylindol-3-yl)-2-(1-ethylpiperidin-2-yl)ethanamine is CCN1CCCCC1C(CN)c1c(C)n(C)c2ccccc12.
What is the InChIKey of 2-(1,2-dimethylindol-3-yl)-2-(1-ethylpiperidin-2-yl)ethanamine?
The InChIKey is QLVIEUPOFVUPAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3/c1-4-22-12-8-7-11-18(22)16(13-20)19-14(2)21(3)17-10-6-5-9-15(17)19/h5-6,9-10,16,18H,4,7-8,11-13,20H2,1-3H3.
What are the key properties of 2-(1,2-dimethylindol-3-yl)-2-(1-ethylpiperidin-2-yl)ethanamine?
2-(1,2-dimethylindol-3-yl)-2-(1-ethylpiperidin-2-yl)ethanamine has a molecular weight of 299.46 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-dimethylindol-3-yl)-2-(1-ethylpiperidin-2-yl)ethanamine is sourced from PubChem (CID 83987607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).