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

C18H21N3 — CID 46884640

IUPACN,N-dimethyl-2-[3-(pyridazin-3-ylmethyl)-1H-inden-2-yl]ethanamine
SMILESCN(C)CCC1=C(Cc2cccnn2)c2ccccc2C1
InChIInChI=1S/C18H21N3/c1-21(2)11-9-15-12-14-6-3-4-8-17(14)18(15)13-16-7-5-10-19-20-16/h3-8,10H,9,11-13H2,1-2H3
InChIKeyJYRXHQCPLUTCMM-UHFFFAOYSA-N
MW279.39 g/mol
LogP2.98
Rot. Bonds5

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

N,N-dimethyl-2-[3-(pyridazin-3-ylmethyl)-1H-inden-2-yl]ethanamine (PubChem CID 46884640) has the molecular formula C18H21N3 and a molecular weight of 279.39 g/mol. Its IUPAC name is N,N-dimethyl-2-[3-(pyridazin-3-ylmethyl)-1H-inden-2-yl]ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-[3-(pyridazin-3-ylmethyl)-1H-inden-2-yl]ethanamine
PubChem CID46884640
Molecular FormulaC18H21N3
Molecular Weight279.39 g/mol
Exact Mass279.17
IUPAC NameN,N-dimethyl-2-[3-(pyridazin-3-ylmethyl)-1H-inden-2-yl]ethanamine
SMILESCN(C)CCC1=C(Cc2cccnn2)c2ccccc2C1
InChIInChI=1S/C18H21N3/c1-21(2)11-9-15-12-14-6-3-4-8-17(14)18(15)13-16-7-5-10-19-20-16/h3-8,10H,9,11-13H2,1-2H3
InChIKeyJYRXHQCPLUTCMM-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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Related Compounds

3-Phenylpyridazine
CID 193499
3-Methyl-5-phenylpyridazine
CID 2736934
3,5-Diphenylpyridazine
CID 10443943
2-(6-chloro-3-(pyridazin-3-ylmethyl)-1H-inden-2-yl)-N,N-dimethylethanamine
CID 11688223
NBI-2 (non-labeled)
CID 11702115
5H-Indeno[1,2-c]pyridazine
CID 100611
4-Phenylpyridazine
CID 6401329
2-(6-Phenyl-pyridazin-4-yl)-benzonitrile
CID 11586937
9H-Indeno[2,1-c]pyridazine
CID 6410596
1-Methylphthalazine
CID 589029
5H-Indeno(1,2-c)pyridazine, 7-fluoro-, monohydrochloride
CID 6410615
Pyridazine, 5-methyl-3-[3-(trifluoromethyl)phenyl]-
CID 10657542

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[3-(pyridazin-3-ylmethyl)-1H-inden-2-yl]ethanamine?
The IUPAC name of N,N-dimethyl-2-[3-(pyridazin-3-ylmethyl)-1H-inden-2-yl]ethanamine (CID 46884640) is N,N-dimethyl-2-[3-(pyridazin-3-ylmethyl)-1H-inden-2-yl]ethanamine.
What is the SMILES notation for N,N-dimethyl-2-[3-(pyridazin-3-ylmethyl)-1H-inden-2-yl]ethanamine?
The canonical SMILES for N,N-dimethyl-2-[3-(pyridazin-3-ylmethyl)-1H-inden-2-yl]ethanamine is CN(C)CCC1=C(Cc2cccnn2)c2ccccc2C1.
What is the InChIKey of N,N-dimethyl-2-[3-(pyridazin-3-ylmethyl)-1H-inden-2-yl]ethanamine?
The InChIKey is JYRXHQCPLUTCMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3/c1-21(2)11-9-15-12-14-6-3-4-8-17(14)18(15)13-16-7-5-10-19-20-16/h3-8,10H,9,11-13H2,1-2H3.
What are the key properties of N,N-dimethyl-2-[3-(pyridazin-3-ylmethyl)-1H-inden-2-yl]ethanamine?
N,N-dimethyl-2-[3-(pyridazin-3-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-(pyridazin-3-ylmethyl)-1H-inden-2-yl]ethanamine is sourced from PubChem (CID 46884640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).