3-[2'-(2-cyclohexylethyl)spiro[1,2-dihydroindene-3,1'-cyclopropane]-5-yl]pyridine

C24H29N — CID 158788631

IUPAC3-[2'-(2-cyclohexylethyl)spiro[1,2-dihydroindene-3,1'-cyclopropane]-5-yl]pyridine
SMILESc1cncc(-c2ccc3c(c2)C2(CC3)CC2CCC2CCCCC2)c1
InChIInChI=1S/C24H29N/c1-2-5-18(6-3-1)8-11-22-16-24(22)13-12-19-9-10-20(15-23(19)24)21-7-4-14-25-17-21/h4,7,9-10,14-15,17-18,22H,1-3,5-6,8,11-13,16H2
InChIKeyVQJOPBNXYBWHHK-UHFFFAOYSA-N
MW331.50 g/mol
LogP6.31
Rot. Bonds4

About 3-[2'-(2-cyclohexylethyl)spiro[1,2-dihydroindene-3,1'-cyclopropane]-5-yl]pyridine

3-[2'-(2-cyclohexylethyl)spiro[1,2-dihydroindene-3,1'-cyclopropane]-5-yl]pyridine (PubChem CID 158788631) has the molecular formula C24H29N and a molecular weight of 331.50 g/mol. Its IUPAC name is 3-[2'-(2-cyclohexylethyl)spiro[1,2-dihydroindene-3,1'-cyclopropane]-5-yl]pyridine.

Molecular Properties

Compound Name3-[2'-(2-cyclohexylethyl)spiro[1,2-dihydroindene-3,1'-cyclopropane]-5-yl]pyridine
PubChem CID158788631
Molecular FormulaC24H29N
Molecular Weight331.50 g/mol
Exact Mass331.23
IUPAC Name3-[2'-(2-cyclohexylethyl)spiro[1,2-dihydroindene-3,1'-cyclopropane]-5-yl]pyridine
SMILESc1cncc(-c2ccc3c(c2)C2(CC3)CC2CCC2CCCCC2)c1
InChIInChI=1S/C24H29N/c1-2-5-18(6-3-1)8-11-22-16-24(22)13-12-19-9-10-20(15-23(19)24)21-7-4-14-25-17-21/h4,7,9-10,14-15,17-18,22H,1-3,5-6,8,11-13,16H2
InChIKeyVQJOPBNXYBWHHK-UHFFFAOYSA-N
XLogP6.31
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.50
LogP ≤ 56.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-pyridin-3-ylspiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine
CID 122463364
4-(2-cyclohexylethyl)-3-pyridin-3-yl-1H-1,2,4-triazole-5-thione
CID 60920970
tert-butyl 4-[[4-[[(5-pyridin-3-ylspiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl)amino]methyl]piperidin-1-yl]methyl]benzoate
CID 122463524
N-(2-cycloheptylethyl)-6-pyridin-3-ylimidazo[1,2-a]pyridin-8-amine
CID 142456769
6-pyridin-3-yl-1,2,3,4-tetrahydronaphthalen-1-ol
CID 169410365
2,4-dipyridin-3-yl-6-[3-(3-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]pyridine
CID 158578907
N-(pyridin-3-ylmethyl)-1-[(1'S,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methanamine
CID 97055666
2-[(cyclohexylamino)methyl]-4-pyridin-3-ylphenol
CID 42424481
5-pyridin-3-yl-2,3-dihydroinden-1-one
CID 18407230
4-cyclohexyl-1-[4-[4-(methylamino)-2-pyridin-3-ylquinazolin-6-yl]phenoxy]butan-2-one
CID 144500433
formamide;1-[(3-pyridin-3-ylphenyl)methyl]cyclohexan-1-amine
CID 144756966
(4aR,10bR)-4,10b-dimethyl-8-pyridin-3-yl-2,4a,5,6-tetrahydro-1H-benzo[f]quinolin-3-one
CID 54288381

Frequently Asked Questions

What is the IUPAC name of 3-[2'-(2-cyclohexylethyl)spiro[1,2-dihydroindene-3,1'-cyclopropane]-5-yl]pyridine?
The IUPAC name of 3-[2'-(2-cyclohexylethyl)spiro[1,2-dihydroindene-3,1'-cyclopropane]-5-yl]pyridine (CID 158788631) is 3-[2'-(2-cyclohexylethyl)spiro[1,2-dihydroindene-3,1'-cyclopropane]-5-yl]pyridine.
What is the SMILES notation for 3-[2'-(2-cyclohexylethyl)spiro[1,2-dihydroindene-3,1'-cyclopropane]-5-yl]pyridine?
The canonical SMILES for 3-[2'-(2-cyclohexylethyl)spiro[1,2-dihydroindene-3,1'-cyclopropane]-5-yl]pyridine is c1cncc(-c2ccc3c(c2)C2(CC3)CC2CCC2CCCCC2)c1.
What is the InChIKey of 3-[2'-(2-cyclohexylethyl)spiro[1,2-dihydroindene-3,1'-cyclopropane]-5-yl]pyridine?
The InChIKey is VQJOPBNXYBWHHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N/c1-2-5-18(6-3-1)8-11-22-16-24(22)13-12-19-9-10-20(15-23(19)24)21-7-4-14-25-17-21/h4,7,9-10,14-15,17-18,22H,1-3,5-6,8,11-13,16H2.
What are the key properties of 3-[2'-(2-cyclohexylethyl)spiro[1,2-dihydroindene-3,1'-cyclopropane]-5-yl]pyridine?
3-[2'-(2-cyclohexylethyl)spiro[1,2-dihydroindene-3,1'-cyclopropane]-5-yl]pyridine has a molecular weight of 331.50 g/mol, XLogP of 6.31, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2'-(2-cyclohexylethyl)spiro[1,2-dihydroindene-3,1'-cyclopropane]-5-yl]pyridine is sourced from PubChem (CID 158788631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).