6-tetradecan-7-yl-2-oxa-6-azaspiro[3.3]heptane

C19H37NO — CID 166880914

IUPAC6-tetradecan-7-yl-2-oxa-6-azaspiro[3.3]heptane
SMILESCCCCCCCC(CCCCCC)N1CC2(COC2)C1
InChIInChI=1S/C19H37NO/c1-3-5-7-9-11-13-18(12-10-8-6-4-2)20-14-19(15-20)16-21-17-19/h18H,3-17H2,1-2H3
InChIKeyIFQJWQVLUAZFKU-UHFFFAOYSA-N
MW295.51 g/mol
LogP5.02
Rot. Bonds12

About 6-tetradecan-7-yl-2-oxa-6-azaspiro[3.3]heptane

6-tetradecan-7-yl-2-oxa-6-azaspiro[3.3]heptane (PubChem CID 166880914) has the molecular formula C19H37NO and a molecular weight of 295.51 g/mol. Its IUPAC name is 6-tetradecan-7-yl-2-oxa-6-azaspiro[3.3]heptane.

Molecular Properties

Compound Name6-tetradecan-7-yl-2-oxa-6-azaspiro[3.3]heptane
PubChem CID166880914
Molecular FormulaC19H37NO
Molecular Weight295.51 g/mol
Exact Mass295.29
IUPAC Name6-tetradecan-7-yl-2-oxa-6-azaspiro[3.3]heptane
SMILESCCCCCCCC(CCCCCC)N1CC2(COC2)C1
InChIInChI=1S/C19H37NO/c1-3-5-7-9-11-13-18(12-10-8-6-4-2)20-14-19(15-20)16-21-17-19/h18H,3-17H2,1-2H3
InChIKeyIFQJWQVLUAZFKU-UHFFFAOYSA-N
XLogP5.02
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.51
LogP ≤ 55.02
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-undecan-5-yl-2-oxa-6-azaspiro[3.3]heptane
CID 166880859
4-hexadecan-8-ylmorpholine
CID 126489366
5,9-dimethyl-7-pentadecan-8-yl-2-oxa-7-azaspiro[3.6]decane
CID 146607046
1-octadecan-4-ylaziridine
CID 87223215
3,3-dimethyl-1-pentadecan-8-ylpiperidine
CID 139447357
1-hexadecan-5-ylpiperidine
CID 175488405
(3R,4R)-3,4-difluoro-1-pentadecan-8-ylpyrrolidine
CID 166714700
1-undecan-5-ylpiperidine
CID 174506253
4-pentadecan-8-ylthiomorpholine
CID 134320979
1-decan-4-ylpiperidine
CID 142178259
3-fluoro-3-methyl-1-pentadecan-8-ylpiperidine
CID 174348955
(1-tridecan-6-ylazetidin-3-yl)methanamine
CID 134177714

Frequently Asked Questions

What is the IUPAC name of 6-tetradecan-7-yl-2-oxa-6-azaspiro[3.3]heptane?
The IUPAC name of 6-tetradecan-7-yl-2-oxa-6-azaspiro[3.3]heptane (CID 166880914) is 6-tetradecan-7-yl-2-oxa-6-azaspiro[3.3]heptane.
What is the SMILES notation for 6-tetradecan-7-yl-2-oxa-6-azaspiro[3.3]heptane?
The canonical SMILES for 6-tetradecan-7-yl-2-oxa-6-azaspiro[3.3]heptane is CCCCCCCC(CCCCCC)N1CC2(COC2)C1.
What is the InChIKey of 6-tetradecan-7-yl-2-oxa-6-azaspiro[3.3]heptane?
The InChIKey is IFQJWQVLUAZFKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37NO/c1-3-5-7-9-11-13-18(12-10-8-6-4-2)20-14-19(15-20)16-21-17-19/h18H,3-17H2,1-2H3.
What are the key properties of 6-tetradecan-7-yl-2-oxa-6-azaspiro[3.3]heptane?
6-tetradecan-7-yl-2-oxa-6-azaspiro[3.3]heptane has a molecular weight of 295.51 g/mol, XLogP of 5.02, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tetradecan-7-yl-2-oxa-6-azaspiro[3.3]heptane is sourced from PubChem (CID 166880914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).