dimethyl(2-pyridin-2-ylethyl)indigane

C9H14InN — CID 19877468

IUPACdimethyl(2-pyridin-2-ylethyl)indigane
SMILESC[In](C)CCc1ccccn1
InChIInChI=1S/C7H8N.2CH3.In/c1-2-7-5-3-4-6-8-7;;;/h3-6H,1-2H2;2*1H3;
InChIKeyXJRMCHBFOXDRAG-UHFFFAOYSA-N
MW251.04 g/mol
LogP2.38
Rot. Bonds3

About dimethyl(2-pyridin-2-ylethyl)indigane

dimethyl(2-pyridin-2-ylethyl)indigane (PubChem CID 19877468) has the molecular formula C9H14InN and a molecular weight of 251.04 g/mol. Its IUPAC name is dimethyl(2-pyridin-2-ylethyl)indigane.

Molecular Properties

Compound Namedimethyl(2-pyridin-2-ylethyl)indigane
PubChem CID19877468
Molecular FormulaC9H14InN
Molecular Weight251.04 g/mol
Exact Mass251.02
IUPAC Namedimethyl(2-pyridin-2-ylethyl)indigane
SMILESC[In](C)CCc1ccccn1
InChIInChI=1S/C7H8N.2CH3.In/c1-2-7-5-3-4-6-8-7;;;/h3-6H,1-2H2;2*1H3;
InChIKeyXJRMCHBFOXDRAG-UHFFFAOYSA-N
XLogP2.38
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.04
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(14-pyridin-2-yltetradecyl)pyridine
CID 10594187
2-(2-fluoroethyl)pyridine
CID 23246235
N-methyl-2-pyridin-2-ylethanamine dichloride
CID 45114105
3,6-bis(2-pyridin-2-ylethyl)-1,2,4,5-tetrazine
CID 162747198
trimethoxy(2-pyridin-2-ylethyl)silane
CID 158126739
2-undecylpyridine
CID 66882765
N-methyl-2-pyridin-2-ylethanamine;hydroiodide
CID 135260552
ethane;pyridin-2-ylmethanamine
CID 90791011
2-ethylpyridine;sulfane
CID 67363352
ethane;2-ethylpyridine
CID 91102000
2-(4,4-dimethylhexyl)pyridine
CID 57111041
chromium;2-pentylpyridine;hydrochloride
CID 175220071

Frequently Asked Questions

What is the IUPAC name of dimethyl(2-pyridin-2-ylethyl)indigane?
The IUPAC name of dimethyl(2-pyridin-2-ylethyl)indigane (CID 19877468) is dimethyl(2-pyridin-2-ylethyl)indigane.
What is the SMILES notation for dimethyl(2-pyridin-2-ylethyl)indigane?
The canonical SMILES for dimethyl(2-pyridin-2-ylethyl)indigane is C[In](C)CCc1ccccn1.
What is the InChIKey of dimethyl(2-pyridin-2-ylethyl)indigane?
The InChIKey is XJRMCHBFOXDRAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N.2CH3.In/c1-2-7-5-3-4-6-8-7;;;/h3-6H,1-2H2;2*1H3;.
What are the key properties of dimethyl(2-pyridin-2-ylethyl)indigane?
dimethyl(2-pyridin-2-ylethyl)indigane has a molecular weight of 251.04 g/mol, XLogP of 2.38, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl(2-pyridin-2-ylethyl)indigane is sourced from PubChem (CID 19877468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).