2-[6-(3-methylbutyl)-3,6-diazabicyclo[3.1.1]heptan-3-yl]ethanol

C12H24N2O — CID 156729433

IUPAC2-[6-(3-methylbutyl)-3,6-diazabicyclo[3.1.1]heptan-3-yl]ethanol
SMILESCC(C)CCN1C2CC1CN(CCO)C2
InChIInChI=1S/C12H24N2O/c1-10(2)3-4-14-11-7-12(14)9-13(8-11)5-6-15/h10-12,15H,3-9H2,1-2H3
InChIKeyYIXOSBCYVDWELZ-UHFFFAOYSA-N
MW212.34 g/mol
LogP0.78
Rot. Bonds5

About 2-[6-(3-methylbutyl)-3,6-diazabicyclo[3.1.1]heptan-3-yl]ethanol

2-[6-(3-methylbutyl)-3,6-diazabicyclo[3.1.1]heptan-3-yl]ethanol (PubChem CID 156729433) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 2-[6-(3-methylbutyl)-3,6-diazabicyclo[3.1.1]heptan-3-yl]ethanol.

Molecular Properties

Compound Name2-[6-(3-methylbutyl)-3,6-diazabicyclo[3.1.1]heptan-3-yl]ethanol
PubChem CID156729433
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name2-[6-(3-methylbutyl)-3,6-diazabicyclo[3.1.1]heptan-3-yl]ethanol
SMILESCC(C)CCN1C2CC1CN(CCO)C2
InChIInChI=1S/C12H24N2O/c1-10(2)3-4-14-11-7-12(14)9-13(8-11)5-6-15/h10-12,15H,3-9H2,1-2H3
InChIKeyYIXOSBCYVDWELZ-UHFFFAOYSA-N
XLogP0.78
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(6-methyl-3,6-diazabicyclo[3.1.1]heptan-3-yl)ethanol
CID 84763750
8-(3-methylbutyl)-3-propyl-3,8-diazabicyclo[3.2.1]octane
CID 166801027
6-(3-methylbutyl)-3-thia-6-azabicyclo[3.1.1]heptane
CID 172588599
2-(3,5-dimethylpiperidin-1-yl)ethanol
CID 43394133
2-[8-(3,3-dimethylbutyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]ethanol;ethane
CID 156729326
8-(3-methylbutyl)-8-azabicyclo[3.2.1]octane-3-carboxylic acid
CID 20524123
8-(3-methylbutyl)-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane
CID 168740580
3-(3-methylbutyl)-6-propan-2-yl-3-azabicyclo[3.1.0]hexane
CID 168740489
2-[3-ethyl-5-(2-methylpropylamino)piperidin-1-yl]ethanol
CID 83994767
2-[(3R)-3-methyl-4-(2-methylpropyl)piperazin-1-yl]ethanol
CID 166175492
2,3-dimethyl-1-(3-methylbutyl)aziridine
CID 130453016
(2R,6R)-2,6-dimethyl-1-(3-methylbutyl)-4-propan-2-ylpiperidine
CID 155468867

Frequently Asked Questions

What is the IUPAC name of 2-[6-(3-methylbutyl)-3,6-diazabicyclo[3.1.1]heptan-3-yl]ethanol?
The IUPAC name of 2-[6-(3-methylbutyl)-3,6-diazabicyclo[3.1.1]heptan-3-yl]ethanol (CID 156729433) is 2-[6-(3-methylbutyl)-3,6-diazabicyclo[3.1.1]heptan-3-yl]ethanol.
What is the SMILES notation for 2-[6-(3-methylbutyl)-3,6-diazabicyclo[3.1.1]heptan-3-yl]ethanol?
The canonical SMILES for 2-[6-(3-methylbutyl)-3,6-diazabicyclo[3.1.1]heptan-3-yl]ethanol is CC(C)CCN1C2CC1CN(CCO)C2.
What is the InChIKey of 2-[6-(3-methylbutyl)-3,6-diazabicyclo[3.1.1]heptan-3-yl]ethanol?
The InChIKey is YIXOSBCYVDWELZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-10(2)3-4-14-11-7-12(14)9-13(8-11)5-6-15/h10-12,15H,3-9H2,1-2H3.
What are the key properties of 2-[6-(3-methylbutyl)-3,6-diazabicyclo[3.1.1]heptan-3-yl]ethanol?
2-[6-(3-methylbutyl)-3,6-diazabicyclo[3.1.1]heptan-3-yl]ethanol has a molecular weight of 212.34 g/mol, XLogP of 0.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(3-methylbutyl)-3,6-diazabicyclo[3.1.1]heptan-3-yl]ethanol is sourced from PubChem (CID 156729433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).