2,2-dimethyl-1-(3-methylbut-2-enyl)-1-azaspiro[5.5]undecan-4-ol

C17H31NO — CID 20501085

IUPAC2,2-dimethyl-1-(3-methylbut-2-enyl)-1-azaspiro[5.5]undecan-4-ol
SMILESCC(C)=CCN1C(C)(C)CC(O)CC12CCCCC2
InChIInChI=1S/C17H31NO/c1-14(2)8-11-18-16(3,4)12-15(19)13-17(18)9-6-5-7-10-17/h8,15,19H,5-7,9-13H2,1-4H3
InChIKeyHNJLBJNFJPYZAV-UHFFFAOYSA-N
MW265.44 g/mol
LogP3.89
Rot. Bonds2

About 2,2-dimethyl-1-(3-methylbut-2-enyl)-1-azaspiro[5.5]undecan-4-ol

2,2-dimethyl-1-(3-methylbut-2-enyl)-1-azaspiro[5.5]undecan-4-ol (PubChem CID 20501085) has the molecular formula C17H31NO and a molecular weight of 265.44 g/mol. Its IUPAC name is 2,2-dimethyl-1-(3-methylbut-2-enyl)-1-azaspiro[5.5]undecan-4-ol.

Molecular Properties

Compound Name2,2-dimethyl-1-(3-methylbut-2-enyl)-1-azaspiro[5.5]undecan-4-ol
PubChem CID20501085
Molecular FormulaC17H31NO
Molecular Weight265.44 g/mol
Exact Mass265.24
IUPAC Name2,2-dimethyl-1-(3-methylbut-2-enyl)-1-azaspiro[5.5]undecan-4-ol
SMILESCC(C)=CCN1C(C)(C)CC(O)CC12CCCCC2
InChIInChI=1S/C17H31NO/c1-14(2)8-11-18-16(3,4)12-15(19)13-17(18)9-6-5-7-10-17/h8,15,19H,5-7,9-13H2,1-4H3
InChIKeyHNJLBJNFJPYZAV-UHFFFAOYSA-N
XLogP3.89
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 53.89
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-(3-methylbut-2-enyl)-1-azaspiro[5.5]undecan-4-ol?
The IUPAC name of 2,2-dimethyl-1-(3-methylbut-2-enyl)-1-azaspiro[5.5]undecan-4-ol (CID 20501085) is 2,2-dimethyl-1-(3-methylbut-2-enyl)-1-azaspiro[5.5]undecan-4-ol.
What is the SMILES notation for 2,2-dimethyl-1-(3-methylbut-2-enyl)-1-azaspiro[5.5]undecan-4-ol?
The canonical SMILES for 2,2-dimethyl-1-(3-methylbut-2-enyl)-1-azaspiro[5.5]undecan-4-ol is CC(C)=CCN1C(C)(C)CC(O)CC12CCCCC2.
What is the InChIKey of 2,2-dimethyl-1-(3-methylbut-2-enyl)-1-azaspiro[5.5]undecan-4-ol?
The InChIKey is HNJLBJNFJPYZAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO/c1-14(2)8-11-18-16(3,4)12-15(19)13-17(18)9-6-5-7-10-17/h8,15,19H,5-7,9-13H2,1-4H3.
What are the key properties of 2,2-dimethyl-1-(3-methylbut-2-enyl)-1-azaspiro[5.5]undecan-4-ol?
2,2-dimethyl-1-(3-methylbut-2-enyl)-1-azaspiro[5.5]undecan-4-ol has a molecular weight of 265.44 g/mol, XLogP of 3.89, 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-(3-methylbut-2-enyl)-1-azaspiro[5.5]undecan-4-ol is sourced from PubChem (CID 20501085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).