8-(pyrrolidin-2-ylmethyl)-8-azabicyclo[3.2.1]octane

C12H22N2 — CID 130834643

IUPAC8-(pyrrolidin-2-ylmethyl)-8-azabicyclo[3.2.1]octane
SMILESC1CNC(CN2C3CCCC2CC3)C1
InChIInChI=1S/C12H22N2/c1-4-11-6-7-12(5-1)14(11)9-10-3-2-8-13-10/h10-13H,1-9H2
InChIKeyLEOWXFWNEUSIEB-UHFFFAOYSA-N
MW194.32 g/mol
LogP1.76
Rot. Bonds2

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

8-(pyrrolidin-2-ylmethyl)-8-azabicyclo[3.2.1]octane (PubChem CID 130834643) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is 8-(pyrrolidin-2-ylmethyl)-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name8-(pyrrolidin-2-ylmethyl)-8-azabicyclo[3.2.1]octane
PubChem CID130834643
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name8-(pyrrolidin-2-ylmethyl)-8-azabicyclo[3.2.1]octane
SMILESC1CNC(CN2C3CCCC2CC3)C1
InChIInChI=1S/C12H22N2/c1-4-11-6-7-12(5-1)14(11)9-10-3-2-8-13-10/h10-13H,1-9H2
InChIKeyLEOWXFWNEUSIEB-UHFFFAOYSA-N
XLogP1.76
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-(piperidin-2-ylmethyl)-7-azabicyclo[2.2.1]heptane
CID 131123539
(2S,6R)-2,6-dimethyl-1-[[(2S)-piperidin-2-yl]methyl]piperidine
CID 7141709
(3aS,6aR)-2-[[(2S)-pyrrolidin-2-yl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 142354137
1-cyclohexyl-4-[[(2S)-pyrrolidin-2-yl]methyl]piperazine
CID 126542421
1-(pyrrolidin-2-ylmethyl)piperazine
CID 53406264
1-[[(2S)-pyrrolidin-2-yl]methyl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine
CID 104870161
ethane;propane;1-(pyrrolidin-2-ylmethyl)pyrrolidine
CID 143192100
2-(pyrrolidin-2-ylmethyl)triazole;hydrochloride
CID 86262246
2-(cyclobutylmethyl)pyrrolidine
CID 77248341
3-pyrrolidin-1-yl-1-[[(2S)-pyrrolidin-2-yl]methyl]pyrrolidine
CID 104870181
3-pyrrolidin-1-yl-1-(pyrrolidin-2-ylmethyl)pyrrolidine
CID 63169586
4-[[(2S)-pyrrolidin-2-yl]methyl]morpholine;dihydrochloride
CID 122361110

Frequently Asked Questions

What is the IUPAC name of 8-(pyrrolidin-2-ylmethyl)-8-azabicyclo[3.2.1]octane?
The IUPAC name of 8-(pyrrolidin-2-ylmethyl)-8-azabicyclo[3.2.1]octane (CID 130834643) is 8-(pyrrolidin-2-ylmethyl)-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 8-(pyrrolidin-2-ylmethyl)-8-azabicyclo[3.2.1]octane?
The canonical SMILES for 8-(pyrrolidin-2-ylmethyl)-8-azabicyclo[3.2.1]octane is C1CNC(CN2C3CCCC2CC3)C1.
What is the InChIKey of 8-(pyrrolidin-2-ylmethyl)-8-azabicyclo[3.2.1]octane?
The InChIKey is LEOWXFWNEUSIEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2/c1-4-11-6-7-12(5-1)14(11)9-10-3-2-8-13-10/h10-13H,1-9H2.
What are the key properties of 8-(pyrrolidin-2-ylmethyl)-8-azabicyclo[3.2.1]octane?
8-(pyrrolidin-2-ylmethyl)-8-azabicyclo[3.2.1]octane has a molecular weight of 194.32 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(pyrrolidin-2-ylmethyl)-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 130834643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).