4,6-diphenyl-7-azaspiro[4.5]decane

C21H25N — CID 139931601

IUPAC4,6-diphenyl-7-azaspiro[4.5]decane
SMILESc1ccc(C2CCCC23CCCNC3c2ccccc2)cc1
InChIInChI=1S/C21H25N/c1-3-9-17(10-4-1)19-13-7-14-21(19)15-8-16-22-20(21)18-11-5-2-6-12-18/h1-6,9-12,19-20,22H,7-8,13-16H2
InChIKeyLSSMEKTYQARRHA-UHFFFAOYSA-N
MW291.44 g/mol
LogP5.07
Rot. Bonds2

About 4,6-diphenyl-7-azaspiro[4.5]decane

4,6-diphenyl-7-azaspiro[4.5]decane (PubChem CID 139931601) has the molecular formula C21H25N and a molecular weight of 291.44 g/mol. Its IUPAC name is 4,6-diphenyl-7-azaspiro[4.5]decane.

Molecular Properties

Compound Name4,6-diphenyl-7-azaspiro[4.5]decane
PubChem CID139931601
Molecular FormulaC21H25N
Molecular Weight291.44 g/mol
Exact Mass291.20
IUPAC Name4,6-diphenyl-7-azaspiro[4.5]decane
SMILESc1ccc(C2CCCC23CCCNC3c2ccccc2)cc1
InChIInChI=1S/C21H25N/c1-3-9-17(10-4-1)19-13-7-14-21(19)15-8-16-22-20(21)18-11-5-2-6-12-18/h1-6,9-12,19-20,22H,7-8,13-16H2
InChIKeyLSSMEKTYQARRHA-UHFFFAOYSA-N
XLogP5.07
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.44
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(5S,6S)-6-phenyl-1-azaspiro[4.5]decane
CID 97356341
(3R,5R,10S)-3,10-diphenyl-1-oxa-9-azaspiro[4.5]decane
CID 56997577
3,3-difluoro-2-phenylpyrrolidine;hydrochloride
CID 84724544
3,3-diethyl-2-phenylpyrrolidine
CID 62721295
3-methyl-2,3-diphenylpyrrolidine
CID 62722920
1-methyl-2-phenylcyclopentan-1-ol
CID 102035822
(2S)-2-phenylpiperidine
CID 10997356
(1,2-diphenylcyclohexyl)silane
CID 175556330
(2S,3S)-3-fluoro-2-phenylpiperidine
CID 167716919
6-phenyl-1,9-diazaspiro[4.5]decane
CID 91595107
ethane;(3R)-3-phenyl-2-azaspiro[3.4]octane
CID 165136172
(2S,3S)-3-fluoro-2-phenylpiperidine;hydrochloride
CID 167716918

Frequently Asked Questions

What is the IUPAC name of 4,6-diphenyl-7-azaspiro[4.5]decane?
The IUPAC name of 4,6-diphenyl-7-azaspiro[4.5]decane (CID 139931601) is 4,6-diphenyl-7-azaspiro[4.5]decane.
What is the SMILES notation for 4,6-diphenyl-7-azaspiro[4.5]decane?
The canonical SMILES for 4,6-diphenyl-7-azaspiro[4.5]decane is c1ccc(C2CCCC23CCCNC3c2ccccc2)cc1.
What is the InChIKey of 4,6-diphenyl-7-azaspiro[4.5]decane?
The InChIKey is LSSMEKTYQARRHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N/c1-3-9-17(10-4-1)19-13-7-14-21(19)15-8-16-22-20(21)18-11-5-2-6-12-18/h1-6,9-12,19-20,22H,7-8,13-16H2.
What are the key properties of 4,6-diphenyl-7-azaspiro[4.5]decane?
4,6-diphenyl-7-azaspiro[4.5]decane has a molecular weight of 291.44 g/mol, XLogP of 5.07, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-diphenyl-7-azaspiro[4.5]decane is sourced from PubChem (CID 139931601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).