2-[8-(3,3-dimethylbutyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]ethanol;ethane

C16H34N2O — CID 156729326

IUPAC2-[8-(3,3-dimethylbutyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]ethanol;ethane
SMILESCC.CC(C)(C)CCN1C2CCC1CN(CCO)C2
InChIInChI=1S/C14H28N2O.C2H6/c1-14(2,3)6-7-16-12-4-5-13(16)11-15(10-12)8-9-17;1-2/h12-13,17H,4-11H2,1-3H3;1-2H3
InChIKeyAHVYLWAUFHBNCI-UHFFFAOYSA-N
MW270.46 g/mol
LogP2.59
Rot. Bonds4

About 2-[8-(3,3-dimethylbutyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]ethanol;ethane

2-[8-(3,3-dimethylbutyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]ethanol;ethane (PubChem CID 156729326) has the molecular formula C16H34N2O and a molecular weight of 270.46 g/mol. Its IUPAC name is 2-[8-(3,3-dimethylbutyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]ethanol;ethane.

Molecular Properties

Compound Name2-[8-(3,3-dimethylbutyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]ethanol;ethane
PubChem CID156729326
Molecular FormulaC16H34N2O
Molecular Weight270.46 g/mol
Exact Mass270.27
IUPAC Name2-[8-(3,3-dimethylbutyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]ethanol;ethane
SMILESCC.CC(C)(C)CCN1C2CCC1CN(CCO)C2
InChIInChI=1S/C14H28N2O.C2H6/c1-14(2,3)6-7-16-12-4-5-13(16)11-15(10-12)8-9-17;1-2/h12-13,17H,4-11H2,1-3H3;1-2H3
InChIKeyAHVYLWAUFHBNCI-UHFFFAOYSA-N
XLogP2.59
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.46
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[8-(3,3-dimethylbutyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]ethanol;ethane with MolForge

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Related Compounds

1-(3,3-dimethylbutyl)azetidin-3-ol
CID 58530884
2-(6-methyl-3,6-diazabicyclo[3.1.1]heptan-3-yl)ethanol
CID 84763750
2-[6-(3-methylbutyl)-3,6-diazabicyclo[3.1.1]heptan-3-yl]ethanol
CID 156729433
3-(3,3-dimethylbutyl)-6-[2-[(2-methylpropan-2-yl)oxy]ethyl]-3,6-diazabicyclo[3.1.1]heptane
CID 139545749
2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)ethanol;ethane
CID 169000293
ethane;(1S,5R)-3-pentyl-8-propyl-3,8-diazabicyclo[3.2.1]octane
CID 167520832
3-tert-butyl-1-(3,3-dimethylbutyl)azetidine
CID 138460802
[1-(3,3-dimethylbutyl)pyrrolidin-3-yl]methanol
CID 62372609
2-(3,3-dimethylbutyl)-2-azabicyclo[2.2.2]octane
CID 129231471
1-(3,3-dimethylbutyl)pyrrolidin-3-ol
CID 18768948
3-[1-(3,3-dimethylbutyl)azetidin-3-yl]imidazolidine-2,4-dione
CID 121183971
2-[[8-(3,3-dimethylbutyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]methyl]-6-fluoro-4-methyl-1H-benzimidazole
CID 169215587

Frequently Asked Questions

What is the IUPAC name of 2-[8-(3,3-dimethylbutyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]ethanol;ethane?
The IUPAC name of 2-[8-(3,3-dimethylbutyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]ethanol;ethane (CID 156729326) is 2-[8-(3,3-dimethylbutyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]ethanol;ethane.
What is the SMILES notation for 2-[8-(3,3-dimethylbutyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]ethanol;ethane?
The canonical SMILES for 2-[8-(3,3-dimethylbutyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]ethanol;ethane is CC.CC(C)(C)CCN1C2CCC1CN(CCO)C2.
What is the InChIKey of 2-[8-(3,3-dimethylbutyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]ethanol;ethane?
The InChIKey is AHVYLWAUFHBNCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O.C2H6/c1-14(2,3)6-7-16-12-4-5-13(16)11-15(10-12)8-9-17;1-2/h12-13,17H,4-11H2,1-3H3;1-2H3.
What are the key properties of 2-[8-(3,3-dimethylbutyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]ethanol;ethane?
2-[8-(3,3-dimethylbutyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]ethanol;ethane has a molecular weight of 270.46 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-(3,3-dimethylbutyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]ethanol;ethane is sourced from PubChem (CID 156729326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).