2,2-dimethyl-1-prop-2-enyl-1-azaspiro[5.5]undecan-4-ol

C15H27NO — CID 20501089

IUPAC2,2-dimethyl-1-prop-2-enyl-1-azaspiro[5.5]undecan-4-ol
SMILESC=CCN1C(C)(C)CC(O)CC12CCCCC2
InChIInChI=1S/C15H27NO/c1-4-10-16-14(2,3)11-13(17)12-15(16)8-6-5-7-9-15/h4,13,17H,1,5-12H2,2-3H3
InChIKeyAJODHSDHJOBOPN-UHFFFAOYSA-N
MW237.39 g/mol
LogP3.11
Rot. Bonds2

About 2,2-dimethyl-1-prop-2-enyl-1-azaspiro[5.5]undecan-4-ol

2,2-dimethyl-1-prop-2-enyl-1-azaspiro[5.5]undecan-4-ol (PubChem CID 20501089) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is 2,2-dimethyl-1-prop-2-enyl-1-azaspiro[5.5]undecan-4-ol.

Molecular Properties

Compound Name2,2-dimethyl-1-prop-2-enyl-1-azaspiro[5.5]undecan-4-ol
PubChem CID20501089
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Name2,2-dimethyl-1-prop-2-enyl-1-azaspiro[5.5]undecan-4-ol
SMILESC=CCN1C(C)(C)CC(O)CC12CCCCC2
InChIInChI=1S/C15H27NO/c1-4-10-16-14(2,3)11-13(17)12-15(16)8-6-5-7-9-15/h4,13,17H,1,5-12H2,2-3H3
InChIKeyAJODHSDHJOBOPN-UHFFFAOYSA-N
XLogP3.11
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-prop-2-enyl-1-azaspiro[5.5]undecan-4-ol?
The IUPAC name of 2,2-dimethyl-1-prop-2-enyl-1-azaspiro[5.5]undecan-4-ol (CID 20501089) is 2,2-dimethyl-1-prop-2-enyl-1-azaspiro[5.5]undecan-4-ol.
What is the SMILES notation for 2,2-dimethyl-1-prop-2-enyl-1-azaspiro[5.5]undecan-4-ol?
The canonical SMILES for 2,2-dimethyl-1-prop-2-enyl-1-azaspiro[5.5]undecan-4-ol is C=CCN1C(C)(C)CC(O)CC12CCCCC2.
What is the InChIKey of 2,2-dimethyl-1-prop-2-enyl-1-azaspiro[5.5]undecan-4-ol?
The InChIKey is AJODHSDHJOBOPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO/c1-4-10-16-14(2,3)11-13(17)12-15(16)8-6-5-7-9-15/h4,13,17H,1,5-12H2,2-3H3.
What are the key properties of 2,2-dimethyl-1-prop-2-enyl-1-azaspiro[5.5]undecan-4-ol?
2,2-dimethyl-1-prop-2-enyl-1-azaspiro[5.5]undecan-4-ol has a molecular weight of 237.39 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-prop-2-enyl-1-azaspiro[5.5]undecan-4-ol is sourced from PubChem (CID 20501089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).