7-azido-5-benzyl-5-azaspiro[2.4]heptane

C13H16N4 — CID 139332390

IUPAC7-azido-5-benzyl-5-azaspiro[2.4]heptane
SMILES[N-]=[N+]=NC1CN(Cc2ccccc2)CC12CC2
InChIInChI=1S/C13H16N4/c14-16-15-12-9-17(10-13(12)6-7-13)8-11-4-2-1-3-5-11/h1-5,12H,6-10H2
InChIKeyOZCRSTFCDZAPIW-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.96
Rot. Bonds3

About 7-azido-5-benzyl-5-azaspiro[2.4]heptane

7-azido-5-benzyl-5-azaspiro[2.4]heptane (PubChem CID 139332390) has the molecular formula C13H16N4 and a molecular weight of 228.30 g/mol. Its IUPAC name is 7-azido-5-benzyl-5-azaspiro[2.4]heptane.

Molecular Properties

Compound Name7-azido-5-benzyl-5-azaspiro[2.4]heptane
PubChem CID139332390
Molecular FormulaC13H16N4
Molecular Weight228.30 g/mol
Exact Mass228.14
IUPAC Name7-azido-5-benzyl-5-azaspiro[2.4]heptane
SMILES[N-]=[N+]=NC1CN(Cc2ccccc2)CC12CC2
InChIInChI=1S/C13H16N4/c14-16-15-12-9-17(10-13(12)6-7-13)8-11-4-2-1-3-5-11/h1-5,12H,6-10H2
InChIKeyOZCRSTFCDZAPIW-UHFFFAOYSA-N
XLogP2.96
TPSA52.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

(5S)-5-azido-7-benzyl-2-oxa-7-azaspiro[3.4]octane
CID 97305426
[4-azido-1-benzyl-3-(hydroxymethyl)pyrrolidin-3-yl]methanol
CID 139788187
5-benzyl-5-azaspiro[2.4]heptan-7-ol
CID 58452923
4-azido-1-benzylpyrrolidin-3-ol
CID 14612532
(3R)-3-azido-1-benzylpiperidine
CID 130647613
2-benzyl-8-oxa-2-azaspiro[4.5]decan-4-amine
CID 83825243
4-azido-1-benzylpiperidin-3-ol
CID 76766265
[(8R)-6-benzyl-6-azaspiro[3.4]octan-8-yl]methanamine
CID 125424290
N-[(7S)-5-benzyl-5-azaspiro[2.4]heptan-7-yl]acetamide
CID 139918944
6-benzyl-6-azaspiro[2.5]octan-8-ol
CID 66783213
(4aS,5R,6R,7R)-6-azido-2-benzyl-7-methyl-1,3,4,5,6,7a-hexahydrocyclopenta[c]pyridine-4a,5,7-triol
CID 10757912
[2-azido-1-(2-azido-1-benzylcyclopentyl)oxycyclopentyl]methylbenzene
CID 141133815

Frequently Asked Questions

What is the IUPAC name of 7-azido-5-benzyl-5-azaspiro[2.4]heptane?
The IUPAC name of 7-azido-5-benzyl-5-azaspiro[2.4]heptane (CID 139332390) is 7-azido-5-benzyl-5-azaspiro[2.4]heptane.
What is the SMILES notation for 7-azido-5-benzyl-5-azaspiro[2.4]heptane?
The canonical SMILES for 7-azido-5-benzyl-5-azaspiro[2.4]heptane is [N-]=[N+]=NC1CN(Cc2ccccc2)CC12CC2.
What is the InChIKey of 7-azido-5-benzyl-5-azaspiro[2.4]heptane?
The InChIKey is OZCRSTFCDZAPIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4/c14-16-15-12-9-17(10-13(12)6-7-13)8-11-4-2-1-3-5-11/h1-5,12H,6-10H2.
What are the key properties of 7-azido-5-benzyl-5-azaspiro[2.4]heptane?
7-azido-5-benzyl-5-azaspiro[2.4]heptane has a molecular weight of 228.30 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-azido-5-benzyl-5-azaspiro[2.4]heptane is sourced from PubChem (CID 139332390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).