6-azaspiro[2.5]octane;ethane;propane

C12H27N — CID 176979994

IUPAC6-azaspiro[2.5]octane;ethane;propane
SMILESC1CC2(CCN1)CC2.CC.CCC
InChIInChI=1S/C7H13N.C3H8.C2H6/c1-2-7(1)3-5-8-6-4-7;1-3-2;1-2/h8H,1-6H2;3H2,1-2H3;1-2H3
InChIKeyMEODYTMDQAMKSM-UHFFFAOYSA-N
MW185.35 g/mol
LogP3.59
Rot. Bonds

About 6-azaspiro[2.5]octane;ethane;propane

6-azaspiro[2.5]octane;ethane;propane (PubChem CID 176979994) has the molecular formula C12H27N and a molecular weight of 185.35 g/mol. Its IUPAC name is 6-azaspiro[2.5]octane;ethane;propane.

Molecular Properties

Compound Name6-azaspiro[2.5]octane;ethane;propane
PubChem CID176979994
Molecular FormulaC12H27N
Molecular Weight185.35 g/mol
Exact Mass185.21
IUPAC Name6-azaspiro[2.5]octane;ethane;propane
SMILESC1CC2(CCN1)CC2.CC.CCC
InChIInChI=1S/C7H13N.C3H8.C2H6/c1-2-7(1)3-5-8-6-4-7;1-3-2;1-2/h8H,1-6H2;3H2,1-2H3;1-2H3
InChIKeyMEODYTMDQAMKSM-UHFFFAOYSA-N
XLogP3.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.35
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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3-Ethyl-3-methylpiperidine
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Frequently Asked Questions

What is the IUPAC name of 6-azaspiro[2.5]octane;ethane;propane?
The IUPAC name of 6-azaspiro[2.5]octane;ethane;propane (CID 176979994) is 6-azaspiro[2.5]octane;ethane;propane.
What is the SMILES notation for 6-azaspiro[2.5]octane;ethane;propane?
The canonical SMILES for 6-azaspiro[2.5]octane;ethane;propane is C1CC2(CCN1)CC2.CC.CCC.
What is the InChIKey of 6-azaspiro[2.5]octane;ethane;propane?
The InChIKey is MEODYTMDQAMKSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N.C3H8.C2H6/c1-2-7(1)3-5-8-6-4-7;1-3-2;1-2/h8H,1-6H2;3H2,1-2H3;1-2H3.
What are the key properties of 6-azaspiro[2.5]octane;ethane;propane?
6-azaspiro[2.5]octane;ethane;propane has a molecular weight of 185.35 g/mol, XLogP of 3.59, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-azaspiro[2.5]octane;ethane;propane is sourced from PubChem (CID 176979994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).