3-(5-azaspiro[2.4]heptan-5-yl)-4-methylcyclohexan-1-ol

C13H23NO — CID 165497273

IUPAC3-(5-azaspiro[2.4]heptan-5-yl)-4-methylcyclohexan-1-ol
SMILESCC1CCC(O)CC1N1CCC2(CC2)C1
InChIInChI=1S/C13H23NO/c1-10-2-3-11(15)8-12(10)14-7-6-13(9-14)4-5-13/h10-12,15H,2-9H2,1H3
InChIKeyJQJGZQLWAUXTRN-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.02
Rot. Bonds1

About 3-(5-azaspiro[2.4]heptan-5-yl)-4-methylcyclohexan-1-ol

3-(5-azaspiro[2.4]heptan-5-yl)-4-methylcyclohexan-1-ol (PubChem CID 165497273) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 3-(5-azaspiro[2.4]heptan-5-yl)-4-methylcyclohexan-1-ol.

Molecular Properties

Compound Name3-(5-azaspiro[2.4]heptan-5-yl)-4-methylcyclohexan-1-ol
PubChem CID165497273
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name3-(5-azaspiro[2.4]heptan-5-yl)-4-methylcyclohexan-1-ol
SMILESCC1CCC(O)CC1N1CCC2(CC2)C1
InChIInChI=1S/C13H23NO/c1-10-2-3-11(15)8-12(10)14-7-6-13(9-14)4-5-13/h10-12,15H,2-9H2,1H3
InChIKeyJQJGZQLWAUXTRN-UHFFFAOYSA-N
XLogP2.02
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4,4-dimethylpiperidin-1-yl)-4-methylcyclohexan-1-ol
CID 165491669
3-(6-azaspiro[3.4]octan-6-yl)cyclopentan-1-ol
CID 130949185
3-(8-azaspiro[4.5]decan-8-yl)cyclopentan-1-ol
CID 79643020
3-(3,3-dimethylpyrrolidin-1-yl)-4-propylcyclohexan-1-ol
CID 165497907
1-(5-hydroxy-2-methylcyclohexyl)-4,4-dimethylpyrrolidin-2-one
CID 165497426
(1R,3R,4S)-3,4-dimethylcyclohexan-1-ol
CID 6994302
4-(2-azaspiro[3.3]heptan-2-yl)cyclohexan-1-ol
CID 104549132
2-(8-azaspiro[4.5]decan-8-yl)-3,5-dimethylcyclohexan-1-ol
CID 64750716
trans-(1S,4S)-4-methylcyclohexane-1,3-diol
CID 142273228
8-methyl-2-(1-methylpiperidin-4-yl)-2,8-diazaspiro[4.5]decane
CID 155218569
4,4-difluoro-1-[(2S)-2-methylcyclopropyl]piperidine
CID 162610218
(3R,4R)-4-(2-azaspiro[5.6]dodecan-2-yl)-1,1-dioxothiolan-3-ol
CID 97219275

Frequently Asked Questions

What is the IUPAC name of 3-(5-azaspiro[2.4]heptan-5-yl)-4-methylcyclohexan-1-ol?
The IUPAC name of 3-(5-azaspiro[2.4]heptan-5-yl)-4-methylcyclohexan-1-ol (CID 165497273) is 3-(5-azaspiro[2.4]heptan-5-yl)-4-methylcyclohexan-1-ol.
What is the SMILES notation for 3-(5-azaspiro[2.4]heptan-5-yl)-4-methylcyclohexan-1-ol?
The canonical SMILES for 3-(5-azaspiro[2.4]heptan-5-yl)-4-methylcyclohexan-1-ol is CC1CCC(O)CC1N1CCC2(CC2)C1.
What is the InChIKey of 3-(5-azaspiro[2.4]heptan-5-yl)-4-methylcyclohexan-1-ol?
The InChIKey is JQJGZQLWAUXTRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-10-2-3-11(15)8-12(10)14-7-6-13(9-14)4-5-13/h10-12,15H,2-9H2,1H3.
What are the key properties of 3-(5-azaspiro[2.4]heptan-5-yl)-4-methylcyclohexan-1-ol?
3-(5-azaspiro[2.4]heptan-5-yl)-4-methylcyclohexan-1-ol has a molecular weight of 209.33 g/mol, XLogP of 2.02, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-azaspiro[2.4]heptan-5-yl)-4-methylcyclohexan-1-ol is sourced from PubChem (CID 165497273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).