6-butyl-2-oxa-6-azaspiro[3.3]heptane;ethane

C11H23NO — CID 164877880

IUPAC6-butyl-2-oxa-6-azaspiro[3.3]heptane;ethane
SMILESCC.CCCCN1CC2(COC2)C1
InChIInChI=1S/C9H17NO.C2H6/c1-2-3-4-10-5-9(6-10)7-11-8-9;1-2/h2-8H2,1H3;1-2H3
InChIKeyNQOKFORPENJIEU-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.14
Rot. Bonds3

About 6-butyl-2-oxa-6-azaspiro[3.3]heptane;ethane

6-butyl-2-oxa-6-azaspiro[3.3]heptane;ethane (PubChem CID 164877880) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 6-butyl-2-oxa-6-azaspiro[3.3]heptane;ethane.

Molecular Properties

Compound Name6-butyl-2-oxa-6-azaspiro[3.3]heptane;ethane
PubChem CID164877880
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name6-butyl-2-oxa-6-azaspiro[3.3]heptane;ethane
SMILESCC.CCCCN1CC2(COC2)C1
InChIInChI=1S/C9H17NO.C2H6/c1-2-3-4-10-5-9(6-10)7-11-8-9;1-2/h2-8H2,1H3;1-2H3
InChIKeyNQOKFORPENJIEU-UHFFFAOYSA-N
XLogP2.14
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-Oxetanamine, N,N-bis(3,3-dimethyl-2-oxetanyl)-3,3-dimethyl-
CID 594022
6-Methyl-2-oxa-6-azaspiro[3.3]heptane
CID 59154926
3-(2-Oxa-6-azaspiro[3.3]heptan-6-yl)propyl hypofluorite
CID 154661222
6-Butyl-2-oxa-6-azaspiro[3.3]heptane
CID 13778350
N-ethyl-N-[(3-methyloxetan-3-yl)methyl]ethanamine
CID 20309122
6-(2,2-Dimethylpropyl)-2-oxa-6-azaspiro[3.3]heptane
CID 58266684
1-(3,3-Dimethylbutyl)-3-(2,2-dimethylpropoxymethyl)azetidine
CID 58371688
6-Tert-butyl-2-oxa-6-azaspiro[3.3]heptane
CID 58441443
6-Propan-2-yl-2-oxa-6-azaspiro[3.3]heptane
CID 58464450
6-Ethyl-2-oxa-6-azaspiro[3.3]heptane
CID 68029725
6-Propyl-2-oxa-6-azaspiro[3.3]heptane
CID 68346908
6-(3-Methylbutan-2-yl)-2-oxa-6-azaspiro[3.3]heptane
CID 89805140

Frequently Asked Questions

What is the IUPAC name of 6-butyl-2-oxa-6-azaspiro[3.3]heptane;ethane?
The IUPAC name of 6-butyl-2-oxa-6-azaspiro[3.3]heptane;ethane (CID 164877880) is 6-butyl-2-oxa-6-azaspiro[3.3]heptane;ethane.
What is the SMILES notation for 6-butyl-2-oxa-6-azaspiro[3.3]heptane;ethane?
The canonical SMILES for 6-butyl-2-oxa-6-azaspiro[3.3]heptane;ethane is CC.CCCCN1CC2(COC2)C1.
What is the InChIKey of 6-butyl-2-oxa-6-azaspiro[3.3]heptane;ethane?
The InChIKey is NQOKFORPENJIEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO.C2H6/c1-2-3-4-10-5-9(6-10)7-11-8-9;1-2/h2-8H2,1H3;1-2H3.
What are the key properties of 6-butyl-2-oxa-6-azaspiro[3.3]heptane;ethane?
6-butyl-2-oxa-6-azaspiro[3.3]heptane;ethane has a molecular weight of 185.31 g/mol, XLogP of 2.14, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butyl-2-oxa-6-azaspiro[3.3]heptane;ethane is sourced from PubChem (CID 164877880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).