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

C19H29NO — CID 20501054

IUPAC1-benzyl-2,2-dimethyl-1-azaspiro[5.5]undecan-4-ol
SMILESCC1(C)CC(O)CC2(CCCCC2)N1Cc1ccccc1
InChIInChI=1S/C19H29NO/c1-18(2)13-17(21)14-19(11-7-4-8-12-19)20(18)15-16-9-5-3-6-10-16/h3,5-6,9-10,17,21H,4,7-8,11-15H2,1-2H3
InChIKeyKAYGSJSLWDFMJQ-UHFFFAOYSA-N
MW287.45 g/mol
LogP4.12
Rot. Bonds2

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

1-benzyl-2,2-dimethyl-1-azaspiro[5.5]undecan-4-ol (PubChem CID 20501054) has the molecular formula C19H29NO and a molecular weight of 287.45 g/mol. Its IUPAC name is 1-benzyl-2,2-dimethyl-1-azaspiro[5.5]undecan-4-ol.

Molecular Properties

Compound Name1-benzyl-2,2-dimethyl-1-azaspiro[5.5]undecan-4-ol
PubChem CID20501054
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC Name1-benzyl-2,2-dimethyl-1-azaspiro[5.5]undecan-4-ol
SMILESCC1(C)CC(O)CC2(CCCCC2)N1Cc1ccccc1
InChIInChI=1S/C19H29NO/c1-18(2)13-17(21)14-19(11-7-4-8-12-19)20(18)15-16-9-5-3-6-10-16/h3,5-6,9-10,17,21H,4,7-8,11-15H2,1-2H3
InChIKeyKAYGSJSLWDFMJQ-UHFFFAOYSA-N
XLogP4.12
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2,2-dimethyl-1-azaspiro[5.5]undecan-4-ol?
The IUPAC name of 1-benzyl-2,2-dimethyl-1-azaspiro[5.5]undecan-4-ol (CID 20501054) is 1-benzyl-2,2-dimethyl-1-azaspiro[5.5]undecan-4-ol.
What is the SMILES notation for 1-benzyl-2,2-dimethyl-1-azaspiro[5.5]undecan-4-ol?
The canonical SMILES for 1-benzyl-2,2-dimethyl-1-azaspiro[5.5]undecan-4-ol is CC1(C)CC(O)CC2(CCCCC2)N1Cc1ccccc1.
What is the InChIKey of 1-benzyl-2,2-dimethyl-1-azaspiro[5.5]undecan-4-ol?
The InChIKey is KAYGSJSLWDFMJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO/c1-18(2)13-17(21)14-19(11-7-4-8-12-19)20(18)15-16-9-5-3-6-10-16/h3,5-6,9-10,17,21H,4,7-8,11-15H2,1-2H3.
What are the key properties of 1-benzyl-2,2-dimethyl-1-azaspiro[5.5]undecan-4-ol?
1-benzyl-2,2-dimethyl-1-azaspiro[5.5]undecan-4-ol has a molecular weight of 287.45 g/mol, XLogP of 4.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2,2-dimethyl-1-azaspiro[5.5]undecan-4-ol is sourced from PubChem (CID 20501054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).