N,N-diethyl-2-[3-(1-pyridin-2-ylethyl)-1H-inden-2-yl]ethanamine

C22H28N2 — CID 11834199

IUPACN,N-diethyl-2-[3-(1-pyridin-2-ylethyl)-1H-inden-2-yl]ethanamine
SMILESCCN(CC)CCC1=C(C(C)c2ccccn2)c2ccccc2C1
InChIInChI=1S/C22H28N2/c1-4-24(5-2)15-13-19-16-18-10-6-7-11-20(18)22(19)17(3)21-12-8-9-14-23-21/h6-12,14,17H,4-5,13,15-16H2,1-3H3
InChIKeySZXDNUASCUAYNA-UHFFFAOYSA-N
MW320.48 g/mol
LogP4.93
Rot. Bonds7

About N,N-diethyl-2-[3-(1-pyridin-2-ylethyl)-1H-inden-2-yl]ethanamine

N,N-diethyl-2-[3-(1-pyridin-2-ylethyl)-1H-inden-2-yl]ethanamine (PubChem CID 11834199) has the molecular formula C22H28N2 and a molecular weight of 320.48 g/mol. Its IUPAC name is N,N-diethyl-2-[3-(1-pyridin-2-ylethyl)-1H-inden-2-yl]ethanamine.

Molecular Properties

Compound NameN,N-diethyl-2-[3-(1-pyridin-2-ylethyl)-1H-inden-2-yl]ethanamine
PubChem CID11834199
Molecular FormulaC22H28N2
Molecular Weight320.48 g/mol
Exact Mass320.23
IUPAC NameN,N-diethyl-2-[3-(1-pyridin-2-ylethyl)-1H-inden-2-yl]ethanamine
SMILESCCN(CC)CCC1=C(C(C)c2ccccn2)c2ccccc2C1
InChIInChI=1S/C22H28N2/c1-4-24(5-2)15-13-19-16-18-10-6-7-11-20(18)22(19)17(3)21-12-8-9-14-23-21/h6-12,14,17H,4-5,13,15-16H2,1-3H3
InChIKeySZXDNUASCUAYNA-UHFFFAOYSA-N
XLogP4.93
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N,N-diethyl-2-[3-(1-pyridin-2-ylethyl)-1H-inden-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

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[3-(1-pyridin-2-ylethyl)-1H-inden-2-yl]ethanamine?
The IUPAC name of N,N-diethyl-2-[3-(1-pyridin-2-ylethyl)-1H-inden-2-yl]ethanamine (CID 11834199) is N,N-diethyl-2-[3-(1-pyridin-2-ylethyl)-1H-inden-2-yl]ethanamine.
What is the SMILES notation for N,N-diethyl-2-[3-(1-pyridin-2-ylethyl)-1H-inden-2-yl]ethanamine?
The canonical SMILES for N,N-diethyl-2-[3-(1-pyridin-2-ylethyl)-1H-inden-2-yl]ethanamine is CCN(CC)CCC1=C(C(C)c2ccccn2)c2ccccc2C1.
What is the InChIKey of N,N-diethyl-2-[3-(1-pyridin-2-ylethyl)-1H-inden-2-yl]ethanamine?
The InChIKey is SZXDNUASCUAYNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2/c1-4-24(5-2)15-13-19-16-18-10-6-7-11-20(18)22(19)17(3)21-12-8-9-14-23-21/h6-12,14,17H,4-5,13,15-16H2,1-3H3.
What are the key properties of N,N-diethyl-2-[3-(1-pyridin-2-ylethyl)-1H-inden-2-yl]ethanamine?
N,N-diethyl-2-[3-(1-pyridin-2-ylethyl)-1H-inden-2-yl]ethanamine has a molecular weight of 320.48 g/mol, XLogP of 4.93, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[3-(1-pyridin-2-ylethyl)-1H-inden-2-yl]ethanamine is sourced from PubChem (CID 11834199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).