3-(oxolan-2-ylmethyl)-8-azabicyclo[3.2.1]octane

C12H21NO — CID 126845754

IUPAC3-(oxolan-2-ylmethyl)-8-azabicyclo[3.2.1]octane
SMILESC1COC(CC2CC3CCC(C2)N3)C1
InChIInChI=1S/C12H21NO/c1-2-12(14-5-1)8-9-6-10-3-4-11(7-9)13-10/h9-13H,1-8H2
InChIKeyDZIBESKKJVZPSB-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.09
Rot. Bonds2

About 3-(oxolan-2-ylmethyl)-8-azabicyclo[3.2.1]octane

3-(oxolan-2-ylmethyl)-8-azabicyclo[3.2.1]octane (PubChem CID 126845754) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 3-(oxolan-2-ylmethyl)-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name3-(oxolan-2-ylmethyl)-8-azabicyclo[3.2.1]octane
PubChem CID126845754
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name3-(oxolan-2-ylmethyl)-8-azabicyclo[3.2.1]octane
SMILESC1COC(CC2CC3CCC(C2)N3)C1
InChIInChI=1S/C12H21NO/c1-2-12(14-5-1)8-9-6-10-3-4-11(7-9)13-10/h9-13H,1-8H2
InChIKeyDZIBESKKJVZPSB-UHFFFAOYSA-N
XLogP2.09
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(cyclopropylmethyl)oxolane
CID 57067840
oxolan-2-ylmethyl 2-(8-azabicyclo[3.2.1]octan-3-yl)acetate
CID 79609187
3-(oxolan-2-ylmethyl)cyclohexan-1-amine
CID 64504353
N-methyl-N-[2-(oxolan-2-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 65161736
4-(oxolan-2-ylmethyl)azepane
CID 126845756
[4-(oxolan-2-ylmethyl)pyrrolidin-2-yl]methanol
CID 117270533
3-(cyclohexylmethyl)-8-azabicyclo[3.2.1]octane;hydrochloride
CID 126844570
2-(oxan-2-ylmethyl)oxane
CID 67860654
N-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-2-(oxolan-2-yl)acetamide
CID 65160337
4-(oxolan-2-ylmethyl)pyrrolidine-2-carboxylic acid
CID 117270033
3-(oxan-2-ylmethyl)pyrrolidine
CID 104680485
1-cyclopropyl-N-(oxolan-2-ylmethyl)methanamine
CID 3607647

Frequently Asked Questions

What is the IUPAC name of 3-(oxolan-2-ylmethyl)-8-azabicyclo[3.2.1]octane?
The IUPAC name of 3-(oxolan-2-ylmethyl)-8-azabicyclo[3.2.1]octane (CID 126845754) is 3-(oxolan-2-ylmethyl)-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 3-(oxolan-2-ylmethyl)-8-azabicyclo[3.2.1]octane?
The canonical SMILES for 3-(oxolan-2-ylmethyl)-8-azabicyclo[3.2.1]octane is C1COC(CC2CC3CCC(C2)N3)C1.
What is the InChIKey of 3-(oxolan-2-ylmethyl)-8-azabicyclo[3.2.1]octane?
The InChIKey is DZIBESKKJVZPSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-2-12(14-5-1)8-9-6-10-3-4-11(7-9)13-10/h9-13H,1-8H2.
What are the key properties of 3-(oxolan-2-ylmethyl)-8-azabicyclo[3.2.1]octane?
3-(oxolan-2-ylmethyl)-8-azabicyclo[3.2.1]octane has a molecular weight of 195.31 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxolan-2-ylmethyl)-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 126845754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).