7-pentadecan-8-yl-2-oxa-7-azaspiro[3.5]nonane

C22H43NO — CID 134243220

IUPAC7-pentadecan-8-yl-2-oxa-7-azaspiro[3.5]nonane
SMILESCCCCCCCC(CCCCCCC)N1CCC2(CC1)COC2
InChIInChI=1S/C22H43NO/c1-3-5-7-9-11-13-21(14-12-10-8-6-4-2)23-17-15-22(16-18-23)19-24-20-22/h21H,3-20H2,1-2H3
InChIKeyLHZYLIHCTWNXRK-UHFFFAOYSA-N
MW337.59 g/mol
LogP6.19
Rot. Bonds13

About 7-pentadecan-8-yl-2-oxa-7-azaspiro[3.5]nonane

7-pentadecan-8-yl-2-oxa-7-azaspiro[3.5]nonane (PubChem CID 134243220) has the molecular formula C22H43NO and a molecular weight of 337.59 g/mol. Its IUPAC name is 7-pentadecan-8-yl-2-oxa-7-azaspiro[3.5]nonane.

Molecular Properties

Compound Name7-pentadecan-8-yl-2-oxa-7-azaspiro[3.5]nonane
PubChem CID134243220
Molecular FormulaC22H43NO
Molecular Weight337.59 g/mol
Exact Mass337.33
IUPAC Name7-pentadecan-8-yl-2-oxa-7-azaspiro[3.5]nonane
SMILESCCCCCCCC(CCCCCCC)N1CCC2(CC1)COC2
InChIInChI=1S/C22H43NO/c1-3-5-7-9-11-13-21(14-12-10-8-6-4-2)23-17-15-22(16-18-23)19-24-20-22/h21H,3-20H2,1-2H3
InChIKeyLHZYLIHCTWNXRK-UHFFFAOYSA-N
XLogP6.19
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.59
LogP ≤ 56.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-pentadecan-8-yl-2-oxa-7-azaspiro[3.5]nonane?
The IUPAC name of 7-pentadecan-8-yl-2-oxa-7-azaspiro[3.5]nonane (CID 134243220) is 7-pentadecan-8-yl-2-oxa-7-azaspiro[3.5]nonane.
What is the SMILES notation for 7-pentadecan-8-yl-2-oxa-7-azaspiro[3.5]nonane?
The canonical SMILES for 7-pentadecan-8-yl-2-oxa-7-azaspiro[3.5]nonane is CCCCCCCC(CCCCCCC)N1CCC2(CC1)COC2.
What is the InChIKey of 7-pentadecan-8-yl-2-oxa-7-azaspiro[3.5]nonane?
The InChIKey is LHZYLIHCTWNXRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H43NO/c1-3-5-7-9-11-13-21(14-12-10-8-6-4-2)23-17-15-22(16-18-23)19-24-20-22/h21H,3-20H2,1-2H3.
What are the key properties of 7-pentadecan-8-yl-2-oxa-7-azaspiro[3.5]nonane?
7-pentadecan-8-yl-2-oxa-7-azaspiro[3.5]nonane has a molecular weight of 337.59 g/mol, XLogP of 6.19, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-pentadecan-8-yl-2-oxa-7-azaspiro[3.5]nonane is sourced from PubChem (CID 134243220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).