2-(azidomethyl)-7-methyl-1-oxaspiro[4.5]decane

C11H19N3O — CID 165438047

IUPAC2-(azidomethyl)-7-methyl-1-oxaspiro[4.5]decane
SMILESCC1CCCC2(CCC(CN=[N+]=[N-])O2)C1
InChIInChI=1S/C11H19N3O/c1-9-3-2-5-11(7-9)6-4-10(15-11)8-13-14-12/h9-10H,2-8H2,1H3
InChIKeyHUYSEQBDPYPSEN-UHFFFAOYSA-N
MW209.29 g/mol
LogP3.42
Rot. Bonds2

About 2-(azidomethyl)-7-methyl-1-oxaspiro[4.5]decane

2-(azidomethyl)-7-methyl-1-oxaspiro[4.5]decane (PubChem CID 165438047) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 2-(azidomethyl)-7-methyl-1-oxaspiro[4.5]decane.

Molecular Properties

Compound Name2-(azidomethyl)-7-methyl-1-oxaspiro[4.5]decane
PubChem CID165438047
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name2-(azidomethyl)-7-methyl-1-oxaspiro[4.5]decane
SMILESCC1CCCC2(CCC(CN=[N+]=[N-])O2)C1
InChIInChI=1S/C11H19N3O/c1-9-3-2-5-11(7-9)6-4-10(15-11)8-13-14-12/h9-10H,2-8H2,1H3
InChIKeyHUYSEQBDPYPSEN-UHFFFAOYSA-N
XLogP3.42
TPSA57.99 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 53.42
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

2-(azidomethyl)-1-oxaspiro[4.4]nonane
CID 102899110
2-(azidomethyl)-8,8-dimethyl-1,7-dioxaspiro[4.4]nonane
CID 165438045
(2S,5R,9R)-2-(azidomethyl)-9-ethyl-1-oxaspiro[4.4]nonane
CID 125450213
(2S,5S,8S,9S)-2-(azidomethyl)-8,9-dimethyl-1,7-dioxaspiro[4.4]nonane
CID 125450249
[3-methyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)cyclohexyl]methanamine
CID 102901857
(1S,3'R,4S,7R)-3'-methylspiro[3-oxabicyclo[5.1.0]octane-4,1'-cyclohexane]
CID 125454992
2-(methoxymethyl)-10-methyl-1-oxa-4-azaspiro[5.5]undecane
CID 65116066
trans-(1R,3S)-1-azido-1,3-dimethylcyclohexane
CID 130763722
N-[(2-methyl-5-oxaspiro[3.4]octan-6-yl)methyl]propan-2-amine
CID 130584015
2-(azidomethyl)-2,3-dimethyloxirane
CID 118438961
1-(3-azidopropylamino)-4-methylcycloheptane-1-carbonitrile
CID 66190467
1-(3-azidopropylamino)-4-methylcycloheptane-1-carboxamide
CID 66164955

Frequently Asked Questions

What is the IUPAC name of 2-(azidomethyl)-7-methyl-1-oxaspiro[4.5]decane?
The IUPAC name of 2-(azidomethyl)-7-methyl-1-oxaspiro[4.5]decane (CID 165438047) is 2-(azidomethyl)-7-methyl-1-oxaspiro[4.5]decane.
What is the SMILES notation for 2-(azidomethyl)-7-methyl-1-oxaspiro[4.5]decane?
The canonical SMILES for 2-(azidomethyl)-7-methyl-1-oxaspiro[4.5]decane is CC1CCCC2(CCC(CN=[N+]=[N-])O2)C1.
What is the InChIKey of 2-(azidomethyl)-7-methyl-1-oxaspiro[4.5]decane?
The InChIKey is HUYSEQBDPYPSEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-9-3-2-5-11(7-9)6-4-10(15-11)8-13-14-12/h9-10H,2-8H2,1H3.
What are the key properties of 2-(azidomethyl)-7-methyl-1-oxaspiro[4.5]decane?
2-(azidomethyl)-7-methyl-1-oxaspiro[4.5]decane has a molecular weight of 209.29 g/mol, XLogP of 3.42, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azidomethyl)-7-methyl-1-oxaspiro[4.5]decane is sourced from PubChem (CID 165438047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).