N,N-dimethyl-2-[3-(pyrimidin-2-ylmethyl)-1H-inden-2-yl]ethanamine

C18H21N3 — CID 46884641

IUPACN,N-dimethyl-2-[3-(pyrimidin-2-ylmethyl)-1H-inden-2-yl]ethanamine
SMILESCN(C)CCC1=C(Cc2ncccn2)c2ccccc2C1
InChIInChI=1S/C18H21N3/c1-21(2)11-8-15-12-14-6-3-4-7-16(14)17(15)13-18-19-9-5-10-20-18/h3-7,9-10H,8,11-13H2,1-2H3
InChIKeySNPICWUEPVAZAM-UHFFFAOYSA-N
MW279.39 g/mol
LogP2.98
Rot. Bonds5

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

N,N-dimethyl-2-[3-(pyrimidin-2-ylmethyl)-1H-inden-2-yl]ethanamine (PubChem CID 46884641) has the molecular formula C18H21N3 and a molecular weight of 279.39 g/mol. Its IUPAC name is N,N-dimethyl-2-[3-(pyrimidin-2-ylmethyl)-1H-inden-2-yl]ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-[3-(pyrimidin-2-ylmethyl)-1H-inden-2-yl]ethanamine
PubChem CID46884641
Molecular FormulaC18H21N3
Molecular Weight279.39 g/mol
Exact Mass279.17
IUPAC NameN,N-dimethyl-2-[3-(pyrimidin-2-ylmethyl)-1H-inden-2-yl]ethanamine
SMILESCN(C)CCC1=C(Cc2ncccn2)c2ccccc2C1
InChIInChI=1S/C18H21N3/c1-21(2)11-8-15-12-14-6-3-4-7-16(14)17(15)13-18-19-9-5-10-20-18/h3-7,9-10H,8,11-13H2,1-2H3
InChIKeySNPICWUEPVAZAM-UHFFFAOYSA-N
XLogP2.98
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[3-(pyrimidin-2-ylmethyl)-1H-inden-2-yl]ethanamine?
The IUPAC name of N,N-dimethyl-2-[3-(pyrimidin-2-ylmethyl)-1H-inden-2-yl]ethanamine (CID 46884641) is N,N-dimethyl-2-[3-(pyrimidin-2-ylmethyl)-1H-inden-2-yl]ethanamine.
What is the SMILES notation for N,N-dimethyl-2-[3-(pyrimidin-2-ylmethyl)-1H-inden-2-yl]ethanamine?
The canonical SMILES for N,N-dimethyl-2-[3-(pyrimidin-2-ylmethyl)-1H-inden-2-yl]ethanamine is CN(C)CCC1=C(Cc2ncccn2)c2ccccc2C1.
What is the InChIKey of N,N-dimethyl-2-[3-(pyrimidin-2-ylmethyl)-1H-inden-2-yl]ethanamine?
The InChIKey is SNPICWUEPVAZAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3/c1-21(2)11-8-15-12-14-6-3-4-7-16(14)17(15)13-18-19-9-5-10-20-18/h3-7,9-10H,8,11-13H2,1-2H3.
What are the key properties of N,N-dimethyl-2-[3-(pyrimidin-2-ylmethyl)-1H-inden-2-yl]ethanamine?
N,N-dimethyl-2-[3-(pyrimidin-2-ylmethyl)-1H-inden-2-yl]ethanamine has a molecular weight of 279.39 g/mol, XLogP of 2.98, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[3-(pyrimidin-2-ylmethyl)-1H-inden-2-yl]ethanamine is sourced from PubChem (CID 46884641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).