[2-azido-1-(2-azido-1-benzylcyclopentyl)oxycyclopentyl]methylbenzene

C24H28N6O — CID 141133815

IUPAC[2-azido-1-(2-azido-1-benzylcyclopentyl)oxycyclopentyl]methylbenzene
SMILES[N-]=[N+]=NC1CCCC1(Cc1ccccc1)OC1(Cc2ccccc2)CCCC1N=[N+]=[N-]
InChIInChI=1S/C24H28N6O/c25-29-27-21-13-7-15-23(21,17-19-9-3-1-4-10-19)31-24(16-8-14-22(24)28-30-26)18-20-11-5-2-6-12-20/h1-6,9-12,21-22H,7-8,13-18H2
InChIKeyQNFCCVMSDGEIGV-UHFFFAOYSA-N
MW416.53 g/mol
LogP6.69
Rot. Bonds8

About [2-azido-1-(2-azido-1-benzylcyclopentyl)oxycyclopentyl]methylbenzene

[2-azido-1-(2-azido-1-benzylcyclopentyl)oxycyclopentyl]methylbenzene (PubChem CID 141133815) has the molecular formula C24H28N6O and a molecular weight of 416.53 g/mol. Its IUPAC name is [2-azido-1-(2-azido-1-benzylcyclopentyl)oxycyclopentyl]methylbenzene.

Molecular Properties

Compound Name[2-azido-1-(2-azido-1-benzylcyclopentyl)oxycyclopentyl]methylbenzene
PubChem CID141133815
Molecular FormulaC24H28N6O
Molecular Weight416.53 g/mol
Exact Mass416.23
IUPAC Name[2-azido-1-(2-azido-1-benzylcyclopentyl)oxycyclopentyl]methylbenzene
SMILES[N-]=[N+]=NC1CCCC1(Cc1ccccc1)OC1(Cc2ccccc2)CCCC1N=[N+]=[N-]
InChIInChI=1S/C24H28N6O/c25-29-27-21-13-7-15-23(21,17-19-9-3-1-4-10-19)31-24(16-8-14-22(24)28-30-26)18-20-11-5-2-6-12-20/h1-6,9-12,21-22H,7-8,13-18H2
InChIKeyQNFCCVMSDGEIGV-UHFFFAOYSA-N
XLogP6.69
TPSA106.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.53
LogP ≤ 56.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

7-azido-5-benzyl-5-azaspiro[2.4]heptane
CID 139332390
(4S,9S)-4,9-diazidospiro[4.4]nonane
CID 58321015
4,9-diazidospiro[4.4]nonane
CID 58321035
[4-azido-1-benzyl-3-(hydroxymethyl)pyrrolidin-3-yl]methanol
CID 139788187
(5S)-5-azido-7-benzyl-2-oxa-7-azaspiro[3.4]octane
CID 97305426
[(3R,4R)-3,4-diazidocyclopentyl]oxymethylbenzene
CID 58822158
(2-azidocyclopentyl)-phenylmethoxymethanesulfonic acid
CID 175367891
(3R)-3-azido-1-benzylpiperidine
CID 130647613
(2S,3S,4R)-4-azido-2-methyl-3-phenylmethoxy-3,4-dihydro-2H-pyran
CID 10955826
(3-azidocyclobutyl)methoxymethylbenzene
CID 86035077
4-(1-benzylcyclobutyl)piperidine
CID 83911456
2-benzyl-2-[(2-benzyl-3,4-dihydropyran-2-yl)oxy]-3,4-dihydropyran
CID 67843739

Frequently Asked Questions

What is the IUPAC name of [2-azido-1-(2-azido-1-benzylcyclopentyl)oxycyclopentyl]methylbenzene?
The IUPAC name of [2-azido-1-(2-azido-1-benzylcyclopentyl)oxycyclopentyl]methylbenzene (CID 141133815) is [2-azido-1-(2-azido-1-benzylcyclopentyl)oxycyclopentyl]methylbenzene.
What is the SMILES notation for [2-azido-1-(2-azido-1-benzylcyclopentyl)oxycyclopentyl]methylbenzene?
The canonical SMILES for [2-azido-1-(2-azido-1-benzylcyclopentyl)oxycyclopentyl]methylbenzene is [N-]=[N+]=NC1CCCC1(Cc1ccccc1)OC1(Cc2ccccc2)CCCC1N=[N+]=[N-].
What is the InChIKey of [2-azido-1-(2-azido-1-benzylcyclopentyl)oxycyclopentyl]methylbenzene?
The InChIKey is QNFCCVMSDGEIGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O/c25-29-27-21-13-7-15-23(21,17-19-9-3-1-4-10-19)31-24(16-8-14-22(24)28-30-26)18-20-11-5-2-6-12-20/h1-6,9-12,21-22H,7-8,13-18H2.
What are the key properties of [2-azido-1-(2-azido-1-benzylcyclopentyl)oxycyclopentyl]methylbenzene?
[2-azido-1-(2-azido-1-benzylcyclopentyl)oxycyclopentyl]methylbenzene has a molecular weight of 416.53 g/mol, XLogP of 6.69, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-azido-1-(2-azido-1-benzylcyclopentyl)oxycyclopentyl]methylbenzene is sourced from PubChem (CID 141133815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).