6-(3-azaspiro[5.5]undecan-3-ylmethyl)-2,2-dimethylcyclohexan-1-ol

C19H35NO — CID 79843515

IUPAC6-(3-azaspiro[5.5]undecan-3-ylmethyl)-2,2-dimethylcyclohexan-1-ol
SMILESCC1(C)CCCC(CN2CCC3(CCCCC3)CC2)C1O
InChIInChI=1S/C19H35NO/c1-18(2)8-6-7-16(17(18)21)15-20-13-11-19(12-14-20)9-4-3-5-10-19/h16-17,21H,3-15H2,1-2H3
InChIKeyZZPUGDLLMRSCMZ-UHFFFAOYSA-N
MW293.50 g/mol
LogP4.22
Rot. Bonds2

About 6-(3-azaspiro[5.5]undecan-3-ylmethyl)-2,2-dimethylcyclohexan-1-ol

6-(3-azaspiro[5.5]undecan-3-ylmethyl)-2,2-dimethylcyclohexan-1-ol (PubChem CID 79843515) has the molecular formula C19H35NO and a molecular weight of 293.50 g/mol. Its IUPAC name is 6-(3-azaspiro[5.5]undecan-3-ylmethyl)-2,2-dimethylcyclohexan-1-ol.

Molecular Properties

Compound Name6-(3-azaspiro[5.5]undecan-3-ylmethyl)-2,2-dimethylcyclohexan-1-ol
PubChem CID79843515
Molecular FormulaC19H35NO
Molecular Weight293.50 g/mol
Exact Mass293.27
IUPAC Name6-(3-azaspiro[5.5]undecan-3-ylmethyl)-2,2-dimethylcyclohexan-1-ol
SMILESCC1(C)CCCC(CN2CCC3(CCCCC3)CC2)C1O
InChIInChI=1S/C19H35NO/c1-18(2)8-6-7-16(17(18)21)15-20-13-11-19(12-14-20)9-4-3-5-10-19/h16-17,21H,3-15H2,1-2H3
InChIKeyZZPUGDLLMRSCMZ-UHFFFAOYSA-N
XLogP4.22
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.50
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(3-azaspiro[5.5]undecan-3-ylmethyl)-2,2-dimethylcyclohexan-1-ol?
The IUPAC name of 6-(3-azaspiro[5.5]undecan-3-ylmethyl)-2,2-dimethylcyclohexan-1-ol (CID 79843515) is 6-(3-azaspiro[5.5]undecan-3-ylmethyl)-2,2-dimethylcyclohexan-1-ol.
What is the SMILES notation for 6-(3-azaspiro[5.5]undecan-3-ylmethyl)-2,2-dimethylcyclohexan-1-ol?
The canonical SMILES for 6-(3-azaspiro[5.5]undecan-3-ylmethyl)-2,2-dimethylcyclohexan-1-ol is CC1(C)CCCC(CN2CCC3(CCCCC3)CC2)C1O.
What is the InChIKey of 6-(3-azaspiro[5.5]undecan-3-ylmethyl)-2,2-dimethylcyclohexan-1-ol?
The InChIKey is ZZPUGDLLMRSCMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35NO/c1-18(2)8-6-7-16(17(18)21)15-20-13-11-19(12-14-20)9-4-3-5-10-19/h16-17,21H,3-15H2,1-2H3.
What are the key properties of 6-(3-azaspiro[5.5]undecan-3-ylmethyl)-2,2-dimethylcyclohexan-1-ol?
6-(3-azaspiro[5.5]undecan-3-ylmethyl)-2,2-dimethylcyclohexan-1-ol has a molecular weight of 293.50 g/mol, XLogP of 4.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-azaspiro[5.5]undecan-3-ylmethyl)-2,2-dimethylcyclohexan-1-ol is sourced from PubChem (CID 79843515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).