3,8,8,13,13-pentamethyl-7-oxa-3-azaspiro[5.9]pentadecane

C18H35NO — CID 135254436

IUPAC3,8,8,13,13-pentamethyl-7-oxa-3-azaspiro[5.9]pentadecane
SMILESCN1CCC2(CC1)CCC(C)(C)CCCCC(C)(C)O2
InChIInChI=1S/C18H35NO/c1-16(2)8-6-7-9-17(3,4)20-18(11-10-16)12-14-19(5)15-13-18/h6-15H2,1-5H3
InChIKeyINNZDLFQTPBETE-UHFFFAOYSA-N
MW281.48 g/mol
LogP4.63
Rot. Bonds

About 3,8,8,13,13-pentamethyl-7-oxa-3-azaspiro[5.9]pentadecane

3,8,8,13,13-pentamethyl-7-oxa-3-azaspiro[5.9]pentadecane (PubChem CID 135254436) has the molecular formula C18H35NO and a molecular weight of 281.48 g/mol. Its IUPAC name is 3,8,8,13,13-pentamethyl-7-oxa-3-azaspiro[5.9]pentadecane.

Molecular Properties

Compound Name3,8,8,13,13-pentamethyl-7-oxa-3-azaspiro[5.9]pentadecane
PubChem CID135254436
Molecular FormulaC18H35NO
Molecular Weight281.48 g/mol
Exact Mass281.27
IUPAC Name3,8,8,13,13-pentamethyl-7-oxa-3-azaspiro[5.9]pentadecane
SMILESCN1CCC2(CC1)CCC(C)(C)CCCCC(C)(C)O2
InChIInChI=1S/C18H35NO/c1-16(2)8-6-7-9-17(3,4)20-18(11-10-16)12-14-19(5)15-13-18/h6-15H2,1-5H3
InChIKeyINNZDLFQTPBETE-UHFFFAOYSA-N
XLogP4.63
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.48
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,4,4,7,7-pentamethylazecane
CID 137411559
1,6,6-trimethylazecane
CID 137411495
methanethiol;1,4,4-trimethylpiperidine
CID 178113124
1,1,2,2,5,5-hexamethylcyclononane
CID 123180504
1,1,7,7-tetramethylcyclopentadecane
CID 123360096
1,1-dimethylcyclobutane;1,1-dimethylcyclopentane;1,1-dimethylcyclopropane
CID 158949227
1,1-dimethylcyclopentane;zinc
CID 174960258
1,1-dimethylcyclononane
CID 59289773
1,3,3-trimethylazepane
CID 18711354
3-methyl-3-azaspiro[5.12]octadecane
CID 71021122
3-methyl-3-azaspiro[5.9]pentadecane
CID 170128255
1,1-dimethylcyclohexane;methane
CID 160770296

Frequently Asked Questions

What is the IUPAC name of 3,8,8,13,13-pentamethyl-7-oxa-3-azaspiro[5.9]pentadecane?
The IUPAC name of 3,8,8,13,13-pentamethyl-7-oxa-3-azaspiro[5.9]pentadecane (CID 135254436) is 3,8,8,13,13-pentamethyl-7-oxa-3-azaspiro[5.9]pentadecane.
What is the SMILES notation for 3,8,8,13,13-pentamethyl-7-oxa-3-azaspiro[5.9]pentadecane?
The canonical SMILES for 3,8,8,13,13-pentamethyl-7-oxa-3-azaspiro[5.9]pentadecane is CN1CCC2(CC1)CCC(C)(C)CCCCC(C)(C)O2.
What is the InChIKey of 3,8,8,13,13-pentamethyl-7-oxa-3-azaspiro[5.9]pentadecane?
The InChIKey is INNZDLFQTPBETE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35NO/c1-16(2)8-6-7-9-17(3,4)20-18(11-10-16)12-14-19(5)15-13-18/h6-15H2,1-5H3.
What are the key properties of 3,8,8,13,13-pentamethyl-7-oxa-3-azaspiro[5.9]pentadecane?
3,8,8,13,13-pentamethyl-7-oxa-3-azaspiro[5.9]pentadecane has a molecular weight of 281.48 g/mol, XLogP of 4.63, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,8,8,13,13-pentamethyl-7-oxa-3-azaspiro[5.9]pentadecane is sourced from PubChem (CID 135254436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).