3-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole

C14H24N2 — CID 102894376

IUPAC3-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole
SMILESC1CC2CNC(CN3CC4CCC3C4)C2C1
InChIInChI=1S/C14H24N2/c1-2-11-7-15-14(13(11)3-1)9-16-8-10-4-5-12(16)6-10/h10-15H,1-9H2
InChIKeyYTCSZVRQWJIYGD-UHFFFAOYSA-N
MW220.36 g/mol
LogP1.86
Rot. Bonds2

About 3-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole

3-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole (PubChem CID 102894376) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is 3-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole.

Molecular Properties

Compound Name3-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole
PubChem CID102894376
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name3-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole
SMILESC1CC2CNC(CN3CC4CCC3C4)C2C1
InChIInChI=1S/C14H24N2/c1-2-11-7-15-14(13(11)3-1)9-16-8-10-4-5-12(16)6-10/h10-15H,1-9H2
InChIKeyYTCSZVRQWJIYGD-UHFFFAOYSA-N
XLogP1.86
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 102894647
2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline
CID 102894300
3-[(3,4-dimethoxypyrrolidin-1-yl)methyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole
CID 103534890
3-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole
CID 102894537
[(3S,3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl]methanamine
CID 66703870
1-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-N,N-dimethylpyrrolidin-3-amine
CID 102894533
3-(fluoromethyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;hydrochloride
CID 84718322
3-[(3-propan-2-ylpyrrolidin-1-yl)methyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole
CID 102894714
3-[(4-ethoxypiperidin-1-yl)methyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole
CID 102894327
2-ethyl-2-azabicyclo[2.2.1]heptane
CID 20576
3-[(3,3-diethylpyrrolidin-1-yl)methyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole
CID 102894651
2-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-N-ethylcyclopentan-1-amine
CID 62610688

Frequently Asked Questions

What is the IUPAC name of 3-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole?
The IUPAC name of 3-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole (CID 102894376) is 3-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole.
What is the SMILES notation for 3-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole?
The canonical SMILES for 3-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole is C1CC2CNC(CN3CC4CCC3C4)C2C1.
What is the InChIKey of 3-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole?
The InChIKey is YTCSZVRQWJIYGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-2-11-7-15-14(13(11)3-1)9-16-8-10-4-5-12(16)6-10/h10-15H,1-9H2.
What are the key properties of 3-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole?
3-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole has a molecular weight of 220.36 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole is sourced from PubChem (CID 102894376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).