5,9-dimethyl-7-pentadecan-8-yl-2-oxa-7-azaspiro[3.6]decane

C25H49NO — CID 146607046

IUPAC5,9-dimethyl-7-pentadecan-8-yl-2-oxa-7-azaspiro[3.6]decane
SMILESCCCCCCCC(CCCCCCC)N1CC(C)CC2(COC2)C(C)C1
InChIInChI=1S/C25H49NO/c1-5-7-9-11-13-15-24(16-14-12-10-8-6-2)26-18-22(3)17-25(20-27-21-25)23(4)19-26/h22-24H,5-21H2,1-4H3
InChIKeyHWVAUKNSGLFFQF-UHFFFAOYSA-N
MW379.67 g/mol
LogP7.07
Rot. Bonds13

About 5,9-dimethyl-7-pentadecan-8-yl-2-oxa-7-azaspiro[3.6]decane

5,9-dimethyl-7-pentadecan-8-yl-2-oxa-7-azaspiro[3.6]decane (PubChem CID 146607046) has the molecular formula C25H49NO and a molecular weight of 379.67 g/mol. Its IUPAC name is 5,9-dimethyl-7-pentadecan-8-yl-2-oxa-7-azaspiro[3.6]decane.

Molecular Properties

Compound Name5,9-dimethyl-7-pentadecan-8-yl-2-oxa-7-azaspiro[3.6]decane
PubChem CID146607046
Molecular FormulaC25H49NO
Molecular Weight379.67 g/mol
Exact Mass379.38
IUPAC Name5,9-dimethyl-7-pentadecan-8-yl-2-oxa-7-azaspiro[3.6]decane
SMILESCCCCCCCC(CCCCCCC)N1CC(C)CC2(COC2)C(C)C1
InChIInChI=1S/C25H49NO/c1-5-7-9-11-13-15-24(16-14-12-10-8-6-2)26-18-22(3)17-25(20-27-21-25)23(4)19-26/h22-24H,5-21H2,1-4H3
InChIKeyHWVAUKNSGLFFQF-UHFFFAOYSA-N
XLogP7.07
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.67
LogP ≤ 57.07
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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Related Compounds

6-tetradecan-7-yl-2-oxa-6-azaspiro[3.3]heptane
CID 166880914
6-undecan-5-yl-2-oxa-6-azaspiro[3.3]heptane
CID 166880859
4-methyl-1-pentadecan-8-ylpiperidine
CID 129306753
(3R,4R)-3,4-difluoro-1-pentadecan-8-ylpyrrolidine
CID 166714700
4-hexadecan-8-ylmorpholine
CID 126489366
(3S,4R)-3,4-dimethoxy-1-pentadecan-8-ylpyrrolidine
CID 126672077
(1-tridecan-6-ylazetidin-3-yl)methanamine
CID 134177714
2-(3,4-dimethylpyrrolidin-1-yl)octan-1-amine
CID 79188205
1-octadecan-4-ylaziridine
CID 87223215
1-undecan-5-ylpiperidine
CID 174506253
1-hexadecan-5-ylpiperidine
CID 175488405
1-pentadecan-8-ylpiperidin-4-amine
CID 134177605

Frequently Asked Questions

What is the IUPAC name of 5,9-dimethyl-7-pentadecan-8-yl-2-oxa-7-azaspiro[3.6]decane?
The IUPAC name of 5,9-dimethyl-7-pentadecan-8-yl-2-oxa-7-azaspiro[3.6]decane (CID 146607046) is 5,9-dimethyl-7-pentadecan-8-yl-2-oxa-7-azaspiro[3.6]decane.
What is the SMILES notation for 5,9-dimethyl-7-pentadecan-8-yl-2-oxa-7-azaspiro[3.6]decane?
The canonical SMILES for 5,9-dimethyl-7-pentadecan-8-yl-2-oxa-7-azaspiro[3.6]decane is CCCCCCCC(CCCCCCC)N1CC(C)CC2(COC2)C(C)C1.
What is the InChIKey of 5,9-dimethyl-7-pentadecan-8-yl-2-oxa-7-azaspiro[3.6]decane?
The InChIKey is HWVAUKNSGLFFQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H49NO/c1-5-7-9-11-13-15-24(16-14-12-10-8-6-2)26-18-22(3)17-25(20-27-21-25)23(4)19-26/h22-24H,5-21H2,1-4H3.
What are the key properties of 5,9-dimethyl-7-pentadecan-8-yl-2-oxa-7-azaspiro[3.6]decane?
5,9-dimethyl-7-pentadecan-8-yl-2-oxa-7-azaspiro[3.6]decane has a molecular weight of 379.67 g/mol, XLogP of 7.07, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,9-dimethyl-7-pentadecan-8-yl-2-oxa-7-azaspiro[3.6]decane is sourced from PubChem (CID 146607046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).