1,4-diazabicyclo[2.2.2]octan-2-yl-(3-ethylcyclohexyl)methanol

C15H28N2O — CID 79968391

IUPAC1,4-diazabicyclo[2.2.2]octan-2-yl-(3-ethylcyclohexyl)methanol
SMILESCCC1CCCC(C(O)C2CN3CCN2CC3)C1
InChIInChI=1S/C15H28N2O/c1-2-12-4-3-5-13(10-12)15(18)14-11-16-6-8-17(14)9-7-16/h12-15,18H,2-11H2,1H3
InChIKeyIAJDNPMJGYZUEP-UHFFFAOYSA-N
MW252.40 g/mol
LogP1.56
Rot. Bonds3

About 1,4-diazabicyclo[2.2.2]octan-2-yl-(3-ethylcyclohexyl)methanol

1,4-diazabicyclo[2.2.2]octan-2-yl-(3-ethylcyclohexyl)methanol (PubChem CID 79968391) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is 1,4-diazabicyclo[2.2.2]octan-2-yl-(3-ethylcyclohexyl)methanol.

Molecular Properties

Compound Name1,4-diazabicyclo[2.2.2]octan-2-yl-(3-ethylcyclohexyl)methanol
PubChem CID79968391
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name1,4-diazabicyclo[2.2.2]octan-2-yl-(3-ethylcyclohexyl)methanol
SMILESCCC1CCCC(C(O)C2CN3CCN2CC3)C1
InChIInChI=1S/C15H28N2O/c1-2-12-4-3-5-13(10-12)15(18)14-11-16-6-8-17(14)9-7-16/h12-15,18H,2-11H2,1H3
InChIKeyIAJDNPMJGYZUEP-UHFFFAOYSA-N
XLogP1.56
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cyclopentyl-(3-ethylcyclopentyl)methanol
CID 65410347
2-cyclobutyl-1-(3-ethylcyclohexyl)ethanol
CID 65457880
(3-ethylcyclohexyl)-(4-propylcyclohexyl)methanol
CID 65423709
1-(3-ethylcyclohexyl)-2,2-difluoroethanol
CID 112699179
cyclopropyl-(3-ethylcyclopentyl)methanol
CID 65411720
(3-ethylcyclohexyl)-(3-ethyl-1,4-dithian-2-yl)methanol
CID 113299467
1-(3-ethylcyclohexyl)decan-1-ol
CID 65401129
(1,4-dimethylpiperazin-2-yl)-(3-ethylcyclohexyl)methanamine
CID 79658674
2-chloro-1-(3-ethylcyclohexyl)-2,2-difluoroethanol
CID 112575163
(3-ethylcyclohexyl)-(1-piperidin-1-ylcyclopentyl)methanol
CID 79059250
N-cyclopropyl-1-(3-ethylcyclohexyl)pyrrolidin-3-amine
CID 64748391
1-(3-ethylcyclohexyl)-3-methylbut-3-en-1-ol
CID 79177597

Frequently Asked Questions

What is the IUPAC name of 1,4-diazabicyclo[2.2.2]octan-2-yl-(3-ethylcyclohexyl)methanol?
The IUPAC name of 1,4-diazabicyclo[2.2.2]octan-2-yl-(3-ethylcyclohexyl)methanol (CID 79968391) is 1,4-diazabicyclo[2.2.2]octan-2-yl-(3-ethylcyclohexyl)methanol.
What is the SMILES notation for 1,4-diazabicyclo[2.2.2]octan-2-yl-(3-ethylcyclohexyl)methanol?
The canonical SMILES for 1,4-diazabicyclo[2.2.2]octan-2-yl-(3-ethylcyclohexyl)methanol is CCC1CCCC(C(O)C2CN3CCN2CC3)C1.
What is the InChIKey of 1,4-diazabicyclo[2.2.2]octan-2-yl-(3-ethylcyclohexyl)methanol?
The InChIKey is IAJDNPMJGYZUEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-2-12-4-3-5-13(10-12)15(18)14-11-16-6-8-17(14)9-7-16/h12-15,18H,2-11H2,1H3.
What are the key properties of 1,4-diazabicyclo[2.2.2]octan-2-yl-(3-ethylcyclohexyl)methanol?
1,4-diazabicyclo[2.2.2]octan-2-yl-(3-ethylcyclohexyl)methanol has a molecular weight of 252.40 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-diazabicyclo[2.2.2]octan-2-yl-(3-ethylcyclohexyl)methanol is sourced from PubChem (CID 79968391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).