6-ethyl-2-propan-2-yl-2-azaspiro[3.3]heptan-6-ol

C11H21NO — CID 176643582

IUPAC6-ethyl-2-propan-2-yl-2-azaspiro[3.3]heptan-6-ol
SMILESCCC1(O)CC2(CN(C(C)C)C2)C1
InChIInChI=1S/C11H21NO/c1-4-11(13)5-10(6-11)7-12(8-10)9(2)3/h9,13H,4-8H2,1-3H3
InChIKeyHSHOZGSPNZNGJG-UHFFFAOYSA-N
MW183.30 g/mol
LogP1.63
Rot. Bonds2

About 6-ethyl-2-propan-2-yl-2-azaspiro[3.3]heptan-6-ol

6-ethyl-2-propan-2-yl-2-azaspiro[3.3]heptan-6-ol (PubChem CID 176643582) has the molecular formula C11H21NO and a molecular weight of 183.30 g/mol. Its IUPAC name is 6-ethyl-2-propan-2-yl-2-azaspiro[3.3]heptan-6-ol.

Molecular Properties

Compound Name6-ethyl-2-propan-2-yl-2-azaspiro[3.3]heptan-6-ol
PubChem CID176643582
Molecular FormulaC11H21NO
Molecular Weight183.30 g/mol
Exact Mass183.16
IUPAC Name6-ethyl-2-propan-2-yl-2-azaspiro[3.3]heptan-6-ol
SMILESCCC1(O)CC2(CN(C(C)C)C2)C1
InChIInChI=1S/C11H21NO/c1-4-11(13)5-10(6-11)7-12(8-10)9(2)3/h9,13H,4-8H2,1-3H3
InChIKeyHSHOZGSPNZNGJG-UHFFFAOYSA-N
XLogP1.63
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.30
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2-propan-2-yl-2-azaspiro[3.3]heptan-6-ol?
The IUPAC name of 6-ethyl-2-propan-2-yl-2-azaspiro[3.3]heptan-6-ol (CID 176643582) is 6-ethyl-2-propan-2-yl-2-azaspiro[3.3]heptan-6-ol.
What is the SMILES notation for 6-ethyl-2-propan-2-yl-2-azaspiro[3.3]heptan-6-ol?
The canonical SMILES for 6-ethyl-2-propan-2-yl-2-azaspiro[3.3]heptan-6-ol is CCC1(O)CC2(CN(C(C)C)C2)C1.
What is the InChIKey of 6-ethyl-2-propan-2-yl-2-azaspiro[3.3]heptan-6-ol?
The InChIKey is HSHOZGSPNZNGJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-4-11(13)5-10(6-11)7-12(8-10)9(2)3/h9,13H,4-8H2,1-3H3.
What are the key properties of 6-ethyl-2-propan-2-yl-2-azaspiro[3.3]heptan-6-ol?
6-ethyl-2-propan-2-yl-2-azaspiro[3.3]heptan-6-ol has a molecular weight of 183.30 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2-propan-2-yl-2-azaspiro[3.3]heptan-6-ol is sourced from PubChem (CID 176643582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).