2-cyclopentyl-2-azabicyclo[2.2.2]octan-5-amine

C12H22N2 — CID 117050347

IUPAC2-cyclopentyl-2-azabicyclo[2.2.2]octan-5-amine
SMILESNC1CC2CCC1CN2C1CCCC1
InChIInChI=1S/C12H22N2/c13-12-7-11-6-5-9(12)8-14(11)10-3-1-2-4-10/h9-12H,1-8,13H2
InChIKeyULIVGEBUNOCWOE-UHFFFAOYSA-N
MW194.32 g/mol
LogP1.74
Rot. Bonds1

About 2-cyclopentyl-2-azabicyclo[2.2.2]octan-5-amine

2-cyclopentyl-2-azabicyclo[2.2.2]octan-5-amine (PubChem CID 117050347) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is 2-cyclopentyl-2-azabicyclo[2.2.2]octan-5-amine.

Molecular Properties

Compound Name2-cyclopentyl-2-azabicyclo[2.2.2]octan-5-amine
PubChem CID117050347
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name2-cyclopentyl-2-azabicyclo[2.2.2]octan-5-amine
SMILESNC1CC2CCC1CN2C1CCCC1
InChIInChI=1S/C12H22N2/c13-12-7-11-6-5-9(12)8-14(11)10-3-1-2-4-10/h9-12H,1-8,13H2
InChIKeyULIVGEBUNOCWOE-UHFFFAOYSA-N
XLogP1.74
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-2-azabicyclo[2.2.2]octan-5-amine?
The IUPAC name of 2-cyclopentyl-2-azabicyclo[2.2.2]octan-5-amine (CID 117050347) is 2-cyclopentyl-2-azabicyclo[2.2.2]octan-5-amine.
What is the SMILES notation for 2-cyclopentyl-2-azabicyclo[2.2.2]octan-5-amine?
The canonical SMILES for 2-cyclopentyl-2-azabicyclo[2.2.2]octan-5-amine is NC1CC2CCC1CN2C1CCCC1.
What is the InChIKey of 2-cyclopentyl-2-azabicyclo[2.2.2]octan-5-amine?
The InChIKey is ULIVGEBUNOCWOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2/c13-12-7-11-6-5-9(12)8-14(11)10-3-1-2-4-10/h9-12H,1-8,13H2.
What are the key properties of 2-cyclopentyl-2-azabicyclo[2.2.2]octan-5-amine?
2-cyclopentyl-2-azabicyclo[2.2.2]octan-5-amine has a molecular weight of 194.32 g/mol, XLogP of 1.74, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-2-azabicyclo[2.2.2]octan-5-amine is sourced from PubChem (CID 117050347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).