N,N-dimethyl-2-[3-(2-pyridin-2-ylpropan-2-yl)-1H-inden-2-yl]ethanamine

C21H26N2 — CID 11748799

IUPACN,N-dimethyl-2-[3-(2-pyridin-2-ylpropan-2-yl)-1H-inden-2-yl]ethanamine
SMILESCN(C)CCC1=C(C(C)(C)c2ccccn2)c2ccccc2C1
InChIInChI=1S/C21H26N2/c1-21(2,19-11-7-8-13-22-19)20-17(12-14-23(3)4)15-16-9-5-6-10-18(16)20/h5-11,13H,12,14-15H2,1-4H3
InChIKeyMPVIJPUSNDEBBO-UHFFFAOYSA-N
MW306.45 g/mol
LogP4.32
Rot. Bonds5

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

N,N-dimethyl-2-[3-(2-pyridin-2-ylpropan-2-yl)-1H-inden-2-yl]ethanamine (PubChem CID 11748799) has the molecular formula C21H26N2 and a molecular weight of 306.45 g/mol. Its IUPAC name is N,N-dimethyl-2-[3-(2-pyridin-2-ylpropan-2-yl)-1H-inden-2-yl]ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-[3-(2-pyridin-2-ylpropan-2-yl)-1H-inden-2-yl]ethanamine
PubChem CID11748799
Molecular FormulaC21H26N2
Molecular Weight306.45 g/mol
Exact Mass306.21
IUPAC NameN,N-dimethyl-2-[3-(2-pyridin-2-ylpropan-2-yl)-1H-inden-2-yl]ethanamine
SMILESCN(C)CCC1=C(C(C)(C)c2ccccn2)c2ccccc2C1
InChIInChI=1S/C21H26N2/c1-21(2,19-11-7-8-13-22-19)20-17(12-14-23(3)4)15-16-9-5-6-10-18(16)20/h5-11,13H,12,14-15H2,1-4H3
InChIKeyMPVIJPUSNDEBBO-UHFFFAOYSA-N
XLogP4.32
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[3-(2-pyridin-2-ylpropan-2-yl)-1H-inden-2-yl]ethanamine?
The IUPAC name of N,N-dimethyl-2-[3-(2-pyridin-2-ylpropan-2-yl)-1H-inden-2-yl]ethanamine (CID 11748799) is N,N-dimethyl-2-[3-(2-pyridin-2-ylpropan-2-yl)-1H-inden-2-yl]ethanamine.
What is the SMILES notation for N,N-dimethyl-2-[3-(2-pyridin-2-ylpropan-2-yl)-1H-inden-2-yl]ethanamine?
The canonical SMILES for N,N-dimethyl-2-[3-(2-pyridin-2-ylpropan-2-yl)-1H-inden-2-yl]ethanamine is CN(C)CCC1=C(C(C)(C)c2ccccn2)c2ccccc2C1.
What is the InChIKey of N,N-dimethyl-2-[3-(2-pyridin-2-ylpropan-2-yl)-1H-inden-2-yl]ethanamine?
The InChIKey is MPVIJPUSNDEBBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2/c1-21(2,19-11-7-8-13-22-19)20-17(12-14-23(3)4)15-16-9-5-6-10-18(16)20/h5-11,13H,12,14-15H2,1-4H3.
What are the key properties of N,N-dimethyl-2-[3-(2-pyridin-2-ylpropan-2-yl)-1H-inden-2-yl]ethanamine?
N,N-dimethyl-2-[3-(2-pyridin-2-ylpropan-2-yl)-1H-inden-2-yl]ethanamine has a molecular weight of 306.45 g/mol, XLogP of 4.32, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[3-(2-pyridin-2-ylpropan-2-yl)-1H-inden-2-yl]ethanamine is sourced from PubChem (CID 11748799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).