ethane;7-methyl-5-azaspiro[2.4]heptan-7-ol

C9H19NO — CID 166166173

IUPACethane;7-methyl-5-azaspiro[2.4]heptan-7-ol
SMILESCC.CC1(O)CNCC12CC2
InChIInChI=1S/C7H13NO.C2H6/c1-6(9)4-8-5-7(6)2-3-7;1-2/h8-9H,2-5H2,1H3;1-2H3
InChIKeyFIKWYWSFPBEOKX-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.15
Rot. Bonds

About ethane;7-methyl-5-azaspiro[2.4]heptan-7-ol

ethane;7-methyl-5-azaspiro[2.4]heptan-7-ol (PubChem CID 166166173) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is ethane;7-methyl-5-azaspiro[2.4]heptan-7-ol.

Molecular Properties

Compound Nameethane;7-methyl-5-azaspiro[2.4]heptan-7-ol
PubChem CID166166173
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Nameethane;7-methyl-5-azaspiro[2.4]heptan-7-ol
SMILESCC.CC1(O)CNCC12CC2
InChIInChI=1S/C7H13NO.C2H6/c1-6(9)4-8-5-7(6)2-3-7;1-2/h8-9H,2-5H2,1H3;1-2H3
InChIKeyFIKWYWSFPBEOKX-UHFFFAOYSA-N
XLogP1.15
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;7-methyl-5-azaspiro[2.4]heptan-7-ol?
The IUPAC name of ethane;7-methyl-5-azaspiro[2.4]heptan-7-ol (CID 166166173) is ethane;7-methyl-5-azaspiro[2.4]heptan-7-ol.
What is the SMILES notation for ethane;7-methyl-5-azaspiro[2.4]heptan-7-ol?
The canonical SMILES for ethane;7-methyl-5-azaspiro[2.4]heptan-7-ol is CC.CC1(O)CNCC12CC2.
What is the InChIKey of ethane;7-methyl-5-azaspiro[2.4]heptan-7-ol?
The InChIKey is FIKWYWSFPBEOKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO.C2H6/c1-6(9)4-8-5-7(6)2-3-7;1-2/h8-9H,2-5H2,1H3;1-2H3.
What are the key properties of ethane;7-methyl-5-azaspiro[2.4]heptan-7-ol?
ethane;7-methyl-5-azaspiro[2.4]heptan-7-ol has a molecular weight of 157.26 g/mol, XLogP of 1.15, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;7-methyl-5-azaspiro[2.4]heptan-7-ol is sourced from PubChem (CID 166166173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).