5-pyridin-3-ylspiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine

C16H16N2 — CID 122463364

IUPAC5-pyridin-3-ylspiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine
SMILESNC1CC12CCc1ccc(-c3cccnc3)cc12
InChIInChI=1S/C16H16N2/c17-15-9-16(15)6-5-11-3-4-12(8-14(11)16)13-2-1-7-18-10-13/h1-4,7-8,10,15H,5-6,9,17H2
InChIKeyOHGLHISZMUEQMF-UHFFFAOYSA-N
MW236.32 g/mol
LogP2.66
Rot. Bonds1

About 5-pyridin-3-ylspiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine

5-pyridin-3-ylspiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine (PubChem CID 122463364) has the molecular formula C16H16N2 and a molecular weight of 236.32 g/mol. Its IUPAC name is 5-pyridin-3-ylspiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine.

Molecular Properties

Compound Name5-pyridin-3-ylspiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine
PubChem CID122463364
Molecular FormulaC16H16N2
Molecular Weight236.32 g/mol
Exact Mass236.13
IUPAC Name5-pyridin-3-ylspiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine
SMILESNC1CC12CCc1ccc(-c3cccnc3)cc12
InChIInChI=1S/C16H16N2/c17-15-9-16(15)6-5-11-3-4-12(8-14(11)16)13-2-1-7-18-10-13/h1-4,7-8,10,15H,5-6,9,17H2
InChIKeyOHGLHISZMUEQMF-UHFFFAOYSA-N
XLogP2.66
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2'-(2-cyclohexylethyl)spiro[1,2-dihydroindene-3,1'-cyclopropane]-5-yl]pyridine
CID 158788631
3-azulen-6-ylpyridine
CID 86232079
5-pyridin-3-yl-2,3-dihydroinden-1-one
CID 18407230
5-pyridin-3-yl-1H-indazol-3-amine
CID 59023862
benzene;3-[3-[3-(3,5-dipyridin-3-ylphenyl)phenyl]-5-pyridin-3-ylphenyl]pyridine
CID 158338475
(4aR,10bR)-4,10b-dimethyl-8-pyridin-3-yl-2,4a,5,6-tetrahydro-1H-benzo[f]quinolin-3-one
CID 54288381
3-[3-[3-phenyl-5-[3-[3-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-5-pyridin-3-ylphenyl]pyridine
CID 126704951
6-pyridin-3-yl-1,2,3,4-tetrahydronaphthalen-1-ol
CID 169410365
2,4-dipyridin-3-ylaniline
CID 46316358
2-amino-6-(4-pyridin-3-ylphenoxy)-3,4-dihydro-1H-naphthalene-2-carboxylic acid;dihydrochloride
CID 174107814
CID 58197753
CID 58197753
cyclopenta[c]azepine
CID 638010

Frequently Asked Questions

What is the IUPAC name of 5-pyridin-3-ylspiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine?
The IUPAC name of 5-pyridin-3-ylspiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine (CID 122463364) is 5-pyridin-3-ylspiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine.
What is the SMILES notation for 5-pyridin-3-ylspiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine?
The canonical SMILES for 5-pyridin-3-ylspiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine is NC1CC12CCc1ccc(-c3cccnc3)cc12.
What is the InChIKey of 5-pyridin-3-ylspiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine?
The InChIKey is OHGLHISZMUEQMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2/c17-15-9-16(15)6-5-11-3-4-12(8-14(11)16)13-2-1-7-18-10-13/h1-4,7-8,10,15H,5-6,9,17H2.
What are the key properties of 5-pyridin-3-ylspiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine?
5-pyridin-3-ylspiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine has a molecular weight of 236.32 g/mol, XLogP of 2.66, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyridin-3-ylspiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine is sourced from PubChem (CID 122463364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).