2,3-dibenzyl-2-azaspiro[4.5]decane

C23H29N — CID 10990798

IUPAC2,3-dibenzyl-2-azaspiro[4.5]decane
SMILESc1ccc(CC2CC3(CCCCC3)CN2Cc2ccccc2)cc1
InChIInChI=1S/C23H29N/c1-4-10-20(11-5-1)16-22-17-23(14-8-3-9-15-23)19-24(22)18-21-12-6-2-7-13-21/h1-2,4-7,10-13,22H,3,8-9,14-19H2
InChIKeyTYMLBFXBJNUJOX-UHFFFAOYSA-N
MW319.49 g/mol
LogP5.45
Rot. Bonds4

About 2,3-dibenzyl-2-azaspiro[4.5]decane

2,3-dibenzyl-2-azaspiro[4.5]decane (PubChem CID 10990798) has the molecular formula C23H29N and a molecular weight of 319.49 g/mol. Its IUPAC name is 2,3-dibenzyl-2-azaspiro[4.5]decane.

Molecular Properties

Compound Name2,3-dibenzyl-2-azaspiro[4.5]decane
PubChem CID10990798
Molecular FormulaC23H29N
Molecular Weight319.49 g/mol
Exact Mass319.23
IUPAC Name2,3-dibenzyl-2-azaspiro[4.5]decane
SMILESc1ccc(CC2CC3(CCCCC3)CN2Cc2ccccc2)cc1
InChIInChI=1S/C23H29N/c1-4-10-20(11-5-1)16-22-17-23(14-8-3-9-15-23)19-24(22)18-21-12-6-2-7-13-21/h1-2,4-7,10-13,22H,3,8-9,14-19H2
InChIKeyTYMLBFXBJNUJOX-UHFFFAOYSA-N
XLogP5.45
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.49
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[(3S)-2-benzyl-2-azaspiro[4.5]decan-3-yl]methanol
CID 168976217
2-benzyl-3-(iodomethyl)-2-azaspiro[5.5]undecane
CID 132849884
5-benzyl-5-azaspiro[2.4]heptane-6-carboxylic acid
CID 67355077
1,2,5-tribenzylpiperazine
CID 64850137
(5R,6S)-2-benzyl-3-(bromomethyl)-2-azaspiro[4.5]decan-6-ol
CID 11382156
3-benzyl-4-ethyl-1,4-diazaspiro[5.5]undecane
CID 64877822
3-benzyl-4-methyl-1,4-diazaspiro[5.5]undecane
CID 64878204
9-benzyl-8-propyl-6,9-diazaspiro[4.5]decane
CID 64877176
1,2-dibenzyl-5-propan-2-ylpiperazine
CID 64838668
1,2-dibenzyl-1-azaspiro[4.5]decan-8-amine
CID 175726887
3-benzyl-4-prop-2-enyl-1,4-diazaspiro[5.5]undecane
CID 64878013
2-methyl-1-[(3R)-3-(phenylmethoxymethyl)-2-azaspiro[4.5]decan-2-yl]propan-1-one
CID 164639715

Frequently Asked Questions

What is the IUPAC name of 2,3-dibenzyl-2-azaspiro[4.5]decane?
The IUPAC name of 2,3-dibenzyl-2-azaspiro[4.5]decane (CID 10990798) is 2,3-dibenzyl-2-azaspiro[4.5]decane.
What is the SMILES notation for 2,3-dibenzyl-2-azaspiro[4.5]decane?
The canonical SMILES for 2,3-dibenzyl-2-azaspiro[4.5]decane is c1ccc(CC2CC3(CCCCC3)CN2Cc2ccccc2)cc1.
What is the InChIKey of 2,3-dibenzyl-2-azaspiro[4.5]decane?
The InChIKey is TYMLBFXBJNUJOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N/c1-4-10-20(11-5-1)16-22-17-23(14-8-3-9-15-23)19-24(22)18-21-12-6-2-7-13-21/h1-2,4-7,10-13,22H,3,8-9,14-19H2.
What are the key properties of 2,3-dibenzyl-2-azaspiro[4.5]decane?
2,3-dibenzyl-2-azaspiro[4.5]decane has a molecular weight of 319.49 g/mol, XLogP of 5.45, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dibenzyl-2-azaspiro[4.5]decane is sourced from PubChem (CID 10990798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).