8-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-4-pyridinyl]-2,8-diazaspiro[4.5]decane

C27H37N3 — CID 67608672

IUPAC8-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-4-pyridinyl]-2,8-diazaspiro[4.5]decane
SMILESCC1(C)CCC(C)(C)c2cc(-c3cc(N4CCC5(CCNC5)CC4)ccn3)ccc21
InChIInChI=1S/C27H37N3/c1-25(2)8-9-26(3,4)23-17-20(5-6-22(23)25)24-18-21(7-13-29-24)30-15-11-27(12-16-30)10-14-28-19-27/h5-7,13,17-18,28H,8-12,14-16,19H2,1-4H3
InChIKeyNLRWTZKDTRULPE-UHFFFAOYSA-N
MW403.61 g/mol
LogP5.68
Rot. Bonds2

About 8-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-4-pyridinyl]-2,8-diazaspiro[4.5]decane

8-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-4-pyridinyl]-2,8-diazaspiro[4.5]decane (PubChem CID 67608672) has the molecular formula C27H37N3 and a molecular weight of 403.61 g/mol. Its IUPAC name is 8-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-4-pyridinyl]-2,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name8-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-4-pyridinyl]-2,8-diazaspiro[4.5]decane
PubChem CID67608672
Molecular FormulaC27H37N3
Molecular Weight403.61 g/mol
Exact Mass403.30
IUPAC Name8-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-4-pyridinyl]-2,8-diazaspiro[4.5]decane
SMILESCC1(C)CCC(C)(C)c2cc(-c3cc(N4CCC5(CCNC5)CC4)ccn3)ccc21
InChIInChI=1S/C27H37N3/c1-25(2)8-9-26(3,4)23-17-20(5-6-22(23)25)24-18-21(7-13-29-24)30-15-11-27(12-16-30)10-14-28-19-27/h5-7,13,17-18,28H,8-12,14-16,19H2,1-4H3
InChIKeyNLRWTZKDTRULPE-UHFFFAOYSA-N
XLogP5.68
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.61
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 8-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-4-pyridinyl]-2,8-diazaspiro[4.5]decane with MolForge

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Related Compounds

8-(4-fluorophenyl)-2,8-diazaspiro[4.5]decane
CID 59505678
1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazine
CID 53250560
2-piperazin-1-yl-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazole
CID 53312286
(3R)-1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pyrimidin-2-yl]pyrrolidin-3-amine
CID 67247216
6-(2,7-diazaspiro[4.4]nonan-2-yl)quinoline
CID 82537940
2-(2-methyl-4-pyridinyl)-2,8-diazaspiro[3.5]nonane
CID 152657407
dichloroosmium;bis(1-[2-(4-piperazin-1-yl-2-pyridinyl)-4-pyridinyl]piperazine)
CID 144800267
(3S)-3-methyl-1-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]piperazine
CID 53252322
(5S)-2-(4-methylpyrimidin-2-yl)-2,7-diazaspiro[4.4]nonane
CID 170131044
4-pyrrolidin-1-yl-2-(4-pyrrolidin-1-yl-2-pyridinyl)pyridine
CID 11601769
2-(3-methylphenyl)-2,7-diazaspiro[4.4]nonane
CID 117028701
2-pyridin-3-yl-2,7-diazaspiro[4.4]nonane
CID 10262309

Frequently Asked Questions

What is the IUPAC name of 8-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-4-pyridinyl]-2,8-diazaspiro[4.5]decane?
The IUPAC name of 8-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-4-pyridinyl]-2,8-diazaspiro[4.5]decane (CID 67608672) is 8-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-4-pyridinyl]-2,8-diazaspiro[4.5]decane.
What is the SMILES notation for 8-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-4-pyridinyl]-2,8-diazaspiro[4.5]decane?
The canonical SMILES for 8-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-4-pyridinyl]-2,8-diazaspiro[4.5]decane is CC1(C)CCC(C)(C)c2cc(-c3cc(N4CCC5(CCNC5)CC4)ccn3)ccc21.
What is the InChIKey of 8-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-4-pyridinyl]-2,8-diazaspiro[4.5]decane?
The InChIKey is NLRWTZKDTRULPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37N3/c1-25(2)8-9-26(3,4)23-17-20(5-6-22(23)25)24-18-21(7-13-29-24)30-15-11-27(12-16-30)10-14-28-19-27/h5-7,13,17-18,28H,8-12,14-16,19H2,1-4H3.
What are the key properties of 8-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-4-pyridinyl]-2,8-diazaspiro[4.5]decane?
8-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-4-pyridinyl]-2,8-diazaspiro[4.5]decane has a molecular weight of 403.61 g/mol, XLogP of 5.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-4-pyridinyl]-2,8-diazaspiro[4.5]decane is sourced from PubChem (CID 67608672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).